Basic information
- Standard SMILES
CCCCc1nc(-c2ccc(C(F)(F)F)cc2)sc1CC#N- InChIKey
IWMSIYZTUGZPEX-UHFFFAOYSA-N- Molecular formula
- C16H15F3N2S
- Average molar mass
- 324.4 g/mol
Names & identifiers
- Preferred name
- [4-Butyl-2-(4-trifluoromethyl-phenyl)-thiazol-5-yl]-acetonitrile
- IUPAC
- 2-[4-butyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]acetonitrile
Names & synonyms
[4-Butyl-2-(4-trifluoromethyl-phenyl)-thiazol-5-yl]-acetonitrileSCHEMBL3542677
Database identifiers
- PubChem CID
- 59296158
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 64.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 396
Related reactions
4 records
Compound notes
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