Molecule ID: 135779804

IUPAC Name: 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine

Description: The molecule is an N-nitro compound consisting of 2-nitroguanidine having a (2-chloro-1,3-thiazol-5-yl)methyl group at position 1 and a methyl group at position 3. It has a role as a nicotinic acetylcholine receptor agonist, a neonicotinoid insectide, an environmental contaminant and a xenobiotic. It is a 2-nitroguanidine derivative, a member of 1,3-thiazoles and an organochlorine compound. It derives from a 2-nitroguanidine and a 2-chlorothiazole.

SMILES: CN=C(NCc1cnc(Cl)s1)N[N+](=O)[O-]

SELFIES: [C][N][=C][Branch1][=N][N][C][C][=C][N][=C][Branch1][C][Cl][S][Ring1][=Branch1][N][N+1][=Branch1][C][=O][O-1]

InChI: InChI=1S/C6H8ClN5O2S/c1-8-6(11-12(13)14)10-3-4-2-9-5(7)15-4/h2H,3H2,1H3,(H2,8,10,11)

Molecular Properties:
- Polar Surface Area: 123.0 Ų
- LogP: 1.3