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Basic information
- Standard SMILES
O=C(NC1CCSCC1)c1cnccc1C(F)(F)F- InChIKey
XQEDYHWOQPVBQG-UHFFFAOYSA-N- Molecular formula
- C12H13F3N2OS
- Average molar mass
- 290.31 g/mol
Names & identifiers
- Preferred name
- N-(Tetrahydrothiopyran-4-yl)-4-trifluoromethylnicotinamide
- IUPAC
- N-(thian-4-yl)-4-(trifluoromethyl)pyridine-3-carboxamide
Names & synonyms
N-(Tetrahydrothiopyran-4-yl)-4-trifluoromethylnicotinamideSCHEMBL5099110
Database identifiers
- PubChem CID
- 11680848
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 67.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 319
Related reactions
2 records
Compound notes
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