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137267-29-9,MFCD09864423
Catalog No.:AA0012YH

137267-29-9 | 2-Isopropyl-4-methyl-1,3-thiazole-5-carboxylic acid

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  • Downstream Synthesis Route
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0012YH
Chemical Name:
2-Isopropyl-4-methyl-1,3-thiazole-5-carboxylic acid
CAS Number:
137267-29-9
Molecular Formula:
C8H11NO2S
Molecular Weight:
185.2434
MDL Number:
MFCD09864423
SMILES:
CC(c1nc(c(s1)C(=O)O)C)C
Properties
Computed Properties
 
Complexity:
184  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
2.4  

Downstream Synthesis Route

[1]Cornwall,Philip;Dell,ColinP.;Knight,DavidW.[JournaloftheChemicalSociety.PerkintransactionsI,1991,#10,p.2417-2428]

2835-78-1    137267-29-9   
2-Isopropyl-4-methyl-thiazole-5-carboxylicacid(3-benzoyl-phenyl)-amide 

[1]Parlow,JohnJ.;Mischke,DeborahA.;Woodard,ScottS.[JournalofOrganicChemistry,1997,vol.62,#17,p.5908-5919]

methyl-((3S,3aS,5aS,5bR,9S,11aR,13aR)-2,3,11a-trimethyl-2,3,3a,4,5,5a,5b,6,8,9,10,11,11a,11b,12,13-hexadecahydro-1H-2-aza-pentalenol1,6a-aphenanthren-9-yl)-amine 
  137267-29-9   
C31H47N3OS 

[1]CurrentPatentAssignee:ABBVIEINC-US2005/227953,2005,A1Locationinpatent:Page/Pagecolumn28

methyl-((3S,3aS,5aS,5bR,9S,11aR,13aR)-2,3,11a-trimethyl-2,3,3a,4,5,5a,5b,6,8,9,10,11,11a,11b,12,13-hexadecahydro-1H-2-aza-pentalenol1,6a-aphenanthren-9-yl)-amine 
  137267-29-9   
2-isopropyl-4-methyl-thiazole-5-carboxylicacidmethyl-(2,3,11a-trimethyl-2,3,3a,4,5,5a,5b,6,8,9,10,11,11a,11b,12,13-hexadecahydro-1H-2-aza-pentaleno1,6a-aphenanthren-9-yl)-amide 

[1]CurrentPatentAssignee:ABBVIEINC-WO2005/100377,2005,A1Locationinpatent:Page/Pagecolumn65

[1]Kathman,StefanG.;Xu,Ziyang;Statsyuk,AlexanderV.[JournalofMedicinalChemistry,2014,vol.57,#11,p.4969-4974]

Literature
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Tags:137267-29-9 Molecular Formula|137267-29-9 MDL|137267-29-9 SMILES|137267-29-9 2-Isopropyl-4-methyl-1,3-thiazole-5-carboxylic acid |Heterocyclic_Building_Blocks