Basic information
- Standard SMILES
Cc1cc([N+](=O)[O-])ccc1N=C1SC(C)(C)CN1CC(C)C- InChIKey
WDHVGEJZKJDRDX-UHFFFAOYSA-N- Molecular formula
- C16H23N3O2S
- Average molar mass
- 321.4 g/mol
Names & identifiers
- Preferred name
- 2-(2-Methyl-4-nitrophenylimino)-3-isobutyl-5,5-dimethyl-1,3-thiazolidine
- IUPAC
- 5,5-dimethyl-N-(2-methyl-4-nitrophenyl)-3-(2-methylpropyl)-1,3-thiazolidin-2-imine
Names & synonyms
SCHEMBL7112267SCHEMBL7112268WDHVGEJZKJDRDX-UHFFFAOYSA-N2-(2-methyl-4-nitrophenylimino)-3-isobutyl-5,5-dimethyl-1,3-thiazolidine
Database identifiers
- PubChem CID
- 18316237
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 445
Related reactions
2 records
Compound notes
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