3-{5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}propanoic acid

CAS: 1142202-66-1

Formula: C13H13N3O3S

SMILES: CC1=CC=C(NC(=O)C2=NN=C(CCC(O)=O)S2)C=C1

IUPAC: 3-{5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}propanoic acid

InChI: InChI=1S/C13H13N3O3S/c1-8-2-4-9(5-3-8)14-12(19)13-16-15-10(20-13)6-7-11(17)18/h2-5H,6-7H2,1H3,(H,14,19)(H,17,18)

Composition: C (53.60%), H (4.50%), N (14.42%), O (16.48%), S (11.00%)

Molar Mass: 291.33

Atom Count: 33

Heavy Atom Count: 20