Home Carboxys 2-Acetylamino-4-methyl-thiazole-5-carboxylic acid

2-Acetylamino-4-methyl-thiazole-5-carboxylic acid

CAS No.:
63788-62-5
Catalog Number:
AG00EJ89
Molecular Formula:
C7H8N2O3S
Molecular Weight:
200.2150
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Product Description
Catalog Number:
AG00EJ89
Chemical Name:
2-Acetylamino-4-methyl-thiazole-5-carboxylic acid
CAS Number:
63788-62-5
Molecular Formula:
C7H8N2O3S
Molecular Weight:
200.2150
MDL Number:
MFCD00548446
IUPAC Name:
2-acetamido-4-methyl-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C7H8N2O3S/c1-3-5(6(11)12)13-7(8-3)9-4(2)10/h1-2H3,(H,11,12)(H,8,9,10)
InChI Key:
QNBIYKNODXVOFV-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1sc(c(n1)C)C(=O)O
Properties
Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.026g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
200.212g/mol
Monoisotopic Mass:
200.026g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties