2-amino-1,3-thiazole-4-carboxylic acid

2-amino-1,3-thiazole-4-carboxylic acid

CAS: 40283-41-8

Formula: C4H4N2O2S

SMILES: NC1=NC(=CS1)C(O)=O

IUPAC: 2-amino-1,3-thiazole-4-carboxylic acid

InChI: InChI=1S/C4H4N2O2S/c5-4-6-2(1-9-4)3(7)8/h1H,(H2,5,6)(H,7,8)

Composition: C (33.33%), H (2.80%), N (19.43%), O (22.20%), S (22.24%)

Molar Mass: 144.15

Atom Count: 13

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	143.999348551
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	FCLDUALXSYSMFB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	32.32
Topological Polar Surface Area	76.21
Polarizability	11.8
Ring Count	1
Rotatable Bond Count	1

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