Basic information
- Standard SMILES
CC(=O)Nc1nc(CCc2ccc(CCBr)cc2)cs1- InChIKey
PTQXBLWVKJGRAK-UHFFFAOYSA-N- Molecular formula
- C15H17BrN2OS
- Average molar mass
- 353.3 g/mol
- Monoisotopic mass
- 352.0245
Names & identifiers
- Preferred name
- N-(4-{2-[4-(2-bromoethyl)phenyl]ethyl}thiazol-2-yl)acetamide
- IUPAC
- N-[4-[2-[4-(2-bromoethyl)phenyl]ethyl]-1,3-thiazol-2-yl]acetamide
Names & synonyms
SCHEMBL970829PTQXBLWVKJGRAK-UHFFFAOYSA-NN-(4-{2-[4-(2-bromoethyl)phenyl]ethyl}thiazol-2-yl)acetamideN-(4-{2-[4-(2-bromoethyl)phenyl]ethyl}-1,3-thiazol-2-yl)acetamide
Database identifiers
- PubChem CID
- 86227322
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 308
Related reactions
4 records
Compound notes
Loading…