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Home Amines 100114-63-4
100114-63-4,MFCD20697238
Catalog No.:AA0000XC
100114-63-4 | Ethyl 5-aminothiazole-2-carboxylate
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Technical Information
Catalog Number:
AA0000XC
Chemical Name:
Ethyl 5-aminothiazole-2-carboxylate
CAS Number:
100114-63-4
Molecular Formula:
C6H8N2O2S
Molecular Weight:
172.2049
MDL Number:
MFCD20697238
IUPAC Name:
ethyl 5-amino-1,3-thiazole-2-carboxylate
InChI:
InChI=1S/C6H8N2O2S/c1-2-10-6(9)5-8-3-4(7)11-5/h3H,2,7H2,1H3
InChI Key:
IZCSREAMZDZVFW-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ncc(s1)N
Properties
Computed Properties
 
Complexity:
154  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.031g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
172.202g/mol
Monoisotopic Mass:
172.031g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  

Synonyms
 
Ethyl 5-aminothiazole-2-carboxylate 
100114-63-4 
AJ-122792 
ethyl 5-amino-1,3-thiazole-2-carboxylate 
2-Thiazolecarboxylic acid, 5-amino-, ethyl ester 
SCHEMBL5879520 
MFCD20697238 
ZINC78876442 
AKOS022186918 
MCULE-4483629905 
BS-13559 
Literature
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