Molecule ID: 2739012

IUPAC Name: N-[(3-chloro-4-fluoroanilino)carbamoyl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide

Description: The molecule is a dicarboximide that consists of semicarbazide in which the formyl hydrogen is substituted by a 3,5-bis(methylthio)1,2-thiazol-4-yl group and one of the hydrogens from the NH2 function is substituted by a 3-chloro-4-fluorophenyl group. It is an organochlorine compound, an organofluorine compound, a member of 1,2-thiazoles, a dicarboximide and a methyl sulfide. It derives from a semicarbazide.

SMILES: CSc1nsc(SC)c1C(O)=NC(=O)NNc1ccc(F)c(Cl)c1

SELFIES: [C][S][C][=N][S][C][Branch1][Ring1][S][C][=C][Ring1][#Branch1][C][Branch1][C][O][=N][C][=Branch1][C][=O][N][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2]

InChI: InChI=1S/C13H12ClFN4O2S3/c1-22-11-9(12(23-2)24-19-11)10(20)16-13(21)18-17-6-3-4-8(15)7(14)5-6/h3-5,17H,1-2H3,(H2,16,18,20,21)

Molecular Properties:
- Polar Surface Area: 162.0 Ų
- LogP: 4.7