Basic information
- Standard SMILES
CN(Cc1ccc(Cl)nc1)c1c([N+](=O)[O-])sc(=O)n1C- InChIKey
SPXASEFXKGSSPJ-UHFFFAOYSA-N- Molecular formula
- C11H11ClN4O3S
- Average molar mass
- 314.75 g/mol
Names & identifiers
- Preferred name
- 4-[N-(2-chloro-5-pyridylmethyl)-N-methylamino]-3-methyl-5-nitro-2-thiazolone
- IUPAC
- 4-[(6-chloro-3-pyridinyl)methyl-methylamino]-3-methyl-5-nitro-1,3-thiazol-2-one
Names & synonyms
SCHEMBL8553285SPXASEFXKGSSPJ-UHFFFAOYSA-N4-[N-(2-chloro-5-pyridylmethyl)-N-methylamino]-3-methyl-5-nitro-2-thiazolone
Database identifiers
- PubChem CID
- 15030463
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 453
Related reactions
6 records
Compound notes
Loading…