Molecule ID: 107646

IUPAC Name: N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-ylidene]nitramide

Description: The molecule is an oxadiazane that is tetrahydro-N-nitro-4H-1,3,5-oxadiazin-4-imine bearing (2-chloro-1,3-thiazol-5-yl)methyl and methyl substituents at positions 3 and 5 respectively. It has a role as an antifeedant, a carcinogenic agent, an environmental contaminant, a xenobiotic and a neonicotinoid insectide. It is an oxadiazane, a member of 1,3-thiazoles, an organochlorine compound and a 2-nitroguanidine derivative. It derives from a 2-chlorothiazole.

SMILES: CN1COCN(Cc2cnc(Cl)s2)C1=N[N+](=O)[O-]

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

InChI: InChI=1S/C8H10ClN5O3S/c1-12-4-17-5-13(8(12)11-14(15)16)3-6-2-10-7(9)18-6/h2H,3-5H2,1H3

Molecular Properties:
- Polar Surface Area: 115.0 Ų
- LogP: 1.5