Molecule ID: 86290107

IUPAC Name: (E)-[3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene]urea

Description: The molecule is a monochloropyridine that is 2-chloropyridine substituted by a [2-(carbamoylimino)-1,3-thiazolidin-3-yl]methyl group at position 5. It is a metabolite of the insecticide thiacloprid. It has a role as a marine xenobiotic metabolite. It is a member of thiazolidines, a monochloropyridine and a member of ureas.

SMILES: N=C(O)/N=C1/SCCN1Cc1ccc(Cl)nc1

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

InChI: InChI=1S/C10H11ClN4OS/c11-8-2-1-7(5-13-8)6-15-3-4-17-10(15)14-9(12)16/h1-2,5H,3-4,6H2,(H2,12,16)/b14-10+

Molecular Properties:
- Polar Surface Area: 96.9 Ų
- LogP: 1.3