N-{2-[(2-Phenyl-4,5-dihydro-1,3-thiazol-4-yl)sulfanyl]ethyl}acetamide
Basic information
- CAS
827022-58-2- Standard SMILES
CC(=O)NCCSC1CSC(c2ccccc2)=N1- InChIKey
YVNFVGKWUWCMMX-UHFFFAOYSA-N- Molecular formula
- C13H16N2OS2
- Average molar mass
- 280.4 g/mol
- Monoisotopic mass
- 280.07040549
Names & identifiers
- Preferred name
- N-{2-[(2-Phenyl-4,5-dihydro-1,3-thiazol-4-yl)sulfanyl]ethyl}acetamide
- IUPAC
- N-[2-[(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)sulfanyl]ethyl]acetamide
Names & synonyms
827022-58-2DTXSID50837186N-{2-[(2-Phenyl-4,5-dihydro-1,3-thiazol-4-yl)sulfanyl]ethyl}acetamide
Database identifiers
- CAS
827022-58-2- PubChem CID
- 71417856
- DTXSID
DTXSID50837186
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 92.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 314
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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