2-acetamido-4-methyl-1,3-thiazole-5-carboxylic acid

2-acetamido-4-methyl-1,3-thiazole-5-carboxylic acid

CAS: 63788-62-5

Formula: C7H8N2O3S

SMILES: CC(=O)NC1=NC(C)=C(S1)C(O)=O

IUPAC: 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)

Composition: C (41.99%), H (4.03%), N (13.99%), O (23.97%), S (16.01%)

Molar Mass: 200.21

Atom Count: 21

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	200.0255633
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	QNBIYKNODXVOFV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.23
Topological Polar Surface Area	79.29
Polarizability	17.32
Ring Count	1
Rotatable Bond Count	2

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