Molecule ID: 2804318

IUPAC Name: N-(3-chloro-4-methylphenyl)-4-methylthiadiazole-5-carboxamide

Description: The molecule is a monocarboxylic acid amide resulting from the formal condensation of the carboxy group of 4-methyl-1,2,3-thiadiazole-5-carboxylic acid with the amino group of 3-chloro-4-methylaniline. It is a fungicide used particularly for the control of fungal diseases in rice. It has a role as an antifungal agrochemical. It is a monocarboxylic acid amide, a member of monochlorobenzenes, a member of thiadiazoles, an organosulfur compound and an anilide fungicide.

SMILES: Cc1ccc(N=C(O)c2snnc2C)cc1Cl

SELFIES: [C][C][=C][C][=C][Branch1][=C][N][=C][Branch1][C][O][C][S][N][=N][C][=Ring1][Branch1][C][C][=C][Ring1][#C][Cl]

InChI: InChI=1S/C11H10ClN3OS/c1-6-3-4-8(5-9(6)12)13-11(16)10-7(2)14-15-17-10/h3-5H,1-2H3,(H,13,16)

Molecular Properties:
- Polar Surface Area: 83.1 Ų
- LogP: 3.0