2-[(4-methoxyphenyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid

2-[(4-methoxyphenyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid

CAS: 436094-69-8

Formula: C12H12N2O3S

SMILES: COC1=CC=C(NC2=NC(C)=C(S2)C(O)=O)C=C1

IUPAC: 2-[(4-methoxyphenyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid

InChI: InChI=1S/C12H12N2O3S/c1-7-10(11(15)16)18-12(13-7)14-8-3-5-9(17-2)6-4-8/h3-6H,1-2H3,(H,13,14)(H,15,16)

Composition: C (54.53%), H (4.58%), N (10.60%), O (18.16%), S (12.13%)

Molar Mass: 264.3

Atom Count: 30

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	264.056863428
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	ULIUXVXHYVQNQQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.32
Topological Polar Surface Area	71.45
Polarizability	25.53
Ring Count	2
Rotatable Bond Count	4

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