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5398-36-7,MFCD00619079
Catalog No.:AA003Q0G

5398-36-7 | Ethyl 2-aminothiazole-4-carboxylate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
98%
in stock  
$7.00   $5.00
- +
10g
98%
in stock  
$11.00   $8.00
- +
25g
98%
in stock  
$19.00   $14.00
- +
500g
98%
in stock  
$328.00   $230.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003Q0G
Chemical Name:
Ethyl 2-aminothiazole-4-carboxylate
CAS Number:
5398-36-7
Molecular Formula:
C6H8N2O2S
Molecular Weight:
172.2049
MDL Number:
MFCD00619079
SMILES:
CCOC(=O)c1csc(n1)N
Properties
Properties
 
BP:
308°C at 760 mmHg  
Form:
Solid  
MP:
177 °C  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
154  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.2  

Upstream Synthesis Route

[1]JournaloftheAmericanChemicalSociety,1950,vol.72,p.5221,5224

[2]Patent:WO2011/14795,2011,A2,.Locationinpatent:Page/Pagecolumn92

[1]JournalofMedicinalChemistry,2002,vol.45,#2,p.533-536

[2]JournalofMedicinalChemistry,2002,vol.45,#2,p.533-536

[1]Patent:US2006/63814,2006,A1,.Locationinpatent:Page/Pagecolumn28

[1]Patent:US2006/41146,2006,A1,.Locationinpatent:Page/Pagecolumn24

[1]Arkivoc,2018,vol.2018,#7,p.110-118

[2]Patent:CN104016944,2016,B,.Locationinpatent:Paragraph0014-0015;0040-0041

[3]OrganicandBiomolecularChemistry,2012,vol.10,#30,p.5764-5768

[4]LettersinDrugDesignandDiscovery,2018,vol.16,#2,p.160-173

[5]Patent:WO2007/146066,2007,A2,.Locationinpatent:Page/Pagecolumn151-152

[6]Patent:CN108218809,2018,A,.Locationinpatent:Paragraph0010;0012-0030;0031

[7]JournalofOrganicChemistry,2018,vol.83,#3,p.1095-1105

[8]Patent:US2006/63814,2006,A1,.Locationinpatent:Page/Pagecolumn27-28

[9]EuropeanJournalofMedicinalChemistry,2012,vol.49,p.172-182

[10]JournalofMedicinalChemistry,2002,vol.45,#2,p.533-536

[11]EuropeanJournalofMedicinalChemistry,2016,vol.123,p.718-726

[12]Patent:WO2017/17631,2017,A2,.Locationinpatent:Paragraph00345

[13]Heterocycles,1997,vol.45,#7,p.1299-1308

[14]Patent:WO2015/57585,2015,A1,.Locationinpatent:Page/Pagecolumn27

[15]SyntheticCommunications,2013,vol.43,#21,p.2876-2882

[16]Patent:CN104003984,2016,B,.Locationinpatent:Paragraph0012;0016-0017;0038-0040

[17]JournalofMedicinalChemistry,2015,vol.58,#15,p.5742-5750

[18]Patent:EP2039686,2009,A1,.Locationinpatent:Page/Pagecolumn23

[19]Patent:US2010/87448,2010,A1,.Locationinpatent:Page/Pagecolumn15

[20]ACSMedicinalChemistryLetters,2015,vol.6,#7,p.809-813

[21]Patent:WO2005/75435,2005,A1,.Locationinpatent:Page/Pagecolumn141-142

[22]JournalofHeterocyclicChemistry,1989,vol.26,#6,p.1643-1647

[23]JustusLiebigsAnnalenderChemie,1891,vol.261,p.26

[24]TetrahedronLetters,1995,vol.36,#30,p.5319-5322

[25]JournalofOrganicChemistry,1996,vol.61,#14,p.4623-4633

[26]Synlett,1999,#8,p.1239-1240

[27]Patent:WO2004/2977,2004,A1,.Locationinpatent:Page22

[28]Patent:US2004/157845,2004,A1,.Locationinpatent:Page16

[29]MedicinalChemistryResearch,2015,vol.24,#8,p.3194-3211

[30]Patent:WO2016/100157,2016,A2,.Locationinpatent:Page/Pagecolumn66

[31]Patent:CN102942565,2016,B,.Locationinpatent:Paragraph0032-0035;0089-0090

[32]Patent:US2008/139558,2008,A1,.Locationinpatent:Page/Pagecolumn56

Downstream Synthesis Route

[1]CurrentPatentAssignee:SHANDONGUNIVERSITY-CN104016944,2016,BLocationinpatent:Paragraph0014-0015;0042-0043

[2]Uedaetal.[YakugakuZasshi/JournalofthePharmaceuticalSocietyofJapan,1959,vol.79,p.920,923][Chem.Abstr.,1959,p.21888]

[3]Wang,Wang;Xiong,Liangliang;Li,Yutong;Song,Zhuorui;Sun,Dejuan;Li,Hua;Chen,Lixia[BioorganicandMedicinalChemistry,2022,vol.56]

[1]Conover;Tarbell[JournaloftheAmericanChemicalSociety,1950,vol.72,p.5221,5224]

[2]CurrentPatentAssignee:IRMLLC-WO2011/14795,2011,A2Locationinpatent:Page/Pagecolumn92

[1]MedicinalChemistryResearch,2015,vol.24,p.3194-3211

[2]JournalofMedicinalChemistry,1977,vol.20,p.572-576

[3]TetrahedronLetters,2002,vol.43,p.7051-7053

[4]Patent:US2007/281979,2007,A1.Locationinpatent:Page/Pagecolumn22

[5]Patent:US2007/4700,2007,A1.Locationinpatent:Page/Pagecolumn23

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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SDS
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Tags:5398-36-7 Molecular Formula|5398-36-7 MDL|5398-36-7 SMILES|5398-36-7 Ethyl 2-aminothiazole-4-carboxylate
Catalog No.: AA003Q0G
5398-36-7,MFCD00619079
5398-36-7 | Ethyl 2-aminothiazole-4-carboxylate
Pack Size： 5g
Purity： 98%
in stock
$7.00 $5.00
Pack Size： 10g
Purity： 98%
in stock
$11.00 $8.00
Pack Size： 25g
Purity： 98%
in stock
$19.00 $14.00
Pack Size： 500g
Purity： 98%
in stock
$328.00 $230.00
Quantity
- +
Add to Card
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Technical Information
Catalog Number: AA003Q0G
Chemical Name: Ethyl 2-aminothiazole-4-carboxylate
CAS Number: 5398-36-7
Molecular Formula: C6H8N2O2S
Molecular Weight: 172.2049
MDL Number: MFCD00619079
SMILES: CCOC(=O)c1csc(n1)N
Properties
BP: 308°C at 760 mmHg  
Form: Solid  
MP: 177 °C  
Storage: Keep in dry area;Room Temperature;  
Complexity: 154  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 11  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.2  
Upstream Synthesis Route
5398-36-7    51307-43-8 

[1]JournaloftheAmericanChemicalSociety,1950,vol.72,p.5221,5224

[2]Patent:WO2011/14795,2011,A2,.Locationinpatent:Page/Pagecolumn92

5398-36-7    14527-43-6 

[1]JournalofMedicinalChemistry,2002,vol.45,#2,p.533-536

[2]JournalofMedicinalChemistry,2002,vol.45,#2,p.533-536

5398-36-7    124-41-4    118452-04-3 

[1]Patent:US2006/63814,2006,A1,.Locationinpatent:Page/Pagecolumn28

5398-36-7    118452-04-3 

[1]Patent:US2006/41146,2006,A1,.Locationinpatent:Page/Pagecolumn24

70-23-5    17356-08-0    5398-36-7 

[1]Arkivoc,2018,vol.2018,#7,p.110-118

[2]Patent:CN104016944,2016,B,.Locationinpatent:Paragraph0014-0015;0040-0041

[3]OrganicandBiomolecularChemistry,2012,vol.10,#30,p.5764-5768

[4]LettersinDrugDesignandDiscovery,2018,vol.16,#2,p.160-173

[5]Patent:WO2007/146066,2007,A2,.Locationinpatent:Page/Pagecolumn151-152

[6]Patent:CN108218809,2018,A,.Locationinpatent:Paragraph0010;0012-0030;0031

[7]JournalofOrganicChemistry,2018,vol.83,#3,p.1095-1105

[8]Patent:US2006/63814,2006,A1,.Locationinpatent:Page/Pagecolumn27-28

[9]EuropeanJournalofMedicinalChemistry,2012,vol.49,p.172-182

[10]JournalofMedicinalChemistry,2002,vol.45,#2,p.533-536

[11]EuropeanJournalofMedicinalChemistry,2016,vol.123,p.718-726

[12]Patent:WO2017/17631,2017,A2,.Locationinpatent:Paragraph00345

[13]Heterocycles,1997,vol.45,#7,p.1299-1308

[14]Patent:WO2015/57585,2015,A1,.Locationinpatent:Page/Pagecolumn27

[15]SyntheticCommunications,2013,vol.43,#21,p.2876-2882

[16]Patent:CN104003984,2016,B,.Locationinpatent:Paragraph0012;0016-0017;0038-0040

[17]JournalofMedicinalChemistry,2015,vol.58,#15,p.5742-5750

[18]Patent:EP2039686,2009,A1,.Locationinpatent:Page/Pagecolumn23

[19]Patent:US2010/87448,2010,A1,.Locationinpatent:Page/Pagecolumn15

[20]ACSMedicinalChemistryLetters,2015,vol.6,#7,p.809-813

[21]Patent:WO2005/75435,2005,A1,.Locationinpatent:Page/Pagecolumn141-142

[22]JournalofHeterocyclicChemistry,1989,vol.26,#6,p.1643-1647

[23]JustusLiebigsAnnalenderChemie,1891,vol.261,p.26

[24]TetrahedronLetters,1995,vol.36,#30,p.5319-5322

[25]JournalofOrganicChemistry,1996,vol.61,#14,p.4623-4633

[26]Synlett,1999,#8,p.1239-1240

[27]Patent:WO2004/2977,2004,A1,.Locationinpatent:Page22

[28]Patent:US2004/157845,2004,A1,.Locationinpatent:Page16

[29]MedicinalChemistryResearch,2015,vol.24,#8,p.3194-3211

[30]Patent:WO2016/100157,2016,A2,.Locationinpatent:Page/Pagecolumn66

[31]Patent:CN102942565,2016,B,.Locationinpatent:Paragraph0032-0035;0089-0090

[32]Patent:US2008/139558,2008,A1,.Locationinpatent:Page/Pagecolumn56

Downstream Synthesis Route
5398-36-7    75-36-5    92819-12-0 

[1]CurrentPatentAssignee:SHANDONGUNIVERSITY-CN104016944,2016,BLocationinpatent:Paragraph0014-0015;0042-0043

[2]Uedaetal.[YakugakuZasshi/JournalofthePharmaceuticalSocietyofJapan,1959,vol.79,p.920,923][Chem.Abstr.,1959,p.21888]

[3]Wang,Wang;Xiong,Liangliang;Li,Yutong;Song,Zhuorui;Sun,Dejuan;Li,Hua;Chen,Lixia[BioorganicandMedicinalChemistry,2022,vol.56]

5398-36-7    51307-43-8 

[1]Conover;Tarbell[JournaloftheAmericanChemicalSociety,1950,vol.72,p.5221,5224]

[2]CurrentPatentAssignee:IRMLLC-WO2011/14795,2011,A2Locationinpatent:Page/Pagecolumn92

5398-36-7    61830-21-5 

[1]MedicinalChemistryResearch,2015,vol.24,p.3194-3211

[2]JournalofMedicinalChemistry,1977,vol.20,p.572-576

[3]TetrahedronLetters,2002,vol.43,p.7051-7053

[4]Patent:US2007/281979,2007,A1.Locationinpatent:Page/Pagecolumn22

[5]Patent:US2007/4700,2007,A1.Locationinpatent:Page/Pagecolumn23

Literature fold

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters20101101

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