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688064-14-4 | 2-Amino-5-methylthiazole-4-carboxylic acid
CAS No: 688064-14-4 Catalog No: AG003GHH MDL No:MFCD09991769
Product Description
Catalog Number:
AG003GHH
Chemical Name:
2-Amino-5-methylthiazole-4-carboxylic acid
CAS Number:
688064-14-4
Molecular Formula:
C5H6N2O2S
Molecular Weight:
158.1783
MDL Number:
MFCD09991769
IUPAC Name:
2-amino-5-methyl-1,3-thiazole-4-carboxylic acid
InChI:
InChI=1S/C5H6N2O2S/c1-2-3(4(8)9)7-5(6)10-2/h1H3,(H2,6,7)(H,8,9)
InChI Key:
BAANOAVDEBKXEY-UHFFFAOYSA-N
SMILES:
Nc1sc(c(n1)C(=O)O)C
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.015g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
158.175g/mol
Monoisotopic Mass:
158.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Identification of 2-aminothiazole-4-carboxylate derivatives active against Mycobacterium tuberculosis H37Rv and the beta-ketoacyl-ACP synthase mtFabH. | PloS one 20090101 |
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