Molecule ID: 5718180

IUPAC Name: N-[[5-[(Z)-N-(carbamoylamino)-C-methylcarbonimidoyl]thiophen-3-yl]methyl]-2-chloroacetamide

Description: The molecule is a semicarbazone obtained by formal condensation of the keto group of N-[(5-acetyl-3-thienyl)methyl]-2-chloroacetamide with the hydrazino group of semicarbazide. It is a member of thiophenes, a member of ureas, an organochlorine compound, a monocarboxylic acid amide and a semicarbazone. It derives from a chloroacetic acid and a semicarbazide.

SMILES: C/C(=N/NC(=N)O)c1cc(CN=C(O)CCl)cs1

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

InChI: InChI=1S/C10H13ClN4O2S/c1-6(14-15-10(12)17)8-2-7(5-18-8)4-13-9(16)3-11/h2,5H,3-4H2,1H3,(H,13,16)(H3,12,15,17)/b14-6-

Molecular Properties:
- Polar Surface Area: 125.0 Ų
- LogP: 0.6