Basic information
- Standard SMILES
CC(Oc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(c2ncc(C#N)s2)CC1)C(F)(F)F- InChIKey
ZRNNGAYKLRUQHB-UHFFFAOYSA-N- Molecular formula
- C19H19F3N4O4S2
- Average molar mass
- 488.5 g/mol
- Monoisotopic mass
- 488.07998193
Names & identifiers
- Preferred name
- 2-{4-[5-Methanesulfonyl-2-(2,2,2-trifluoro-1-methyl-ethoxy)-benzoyl]-piperazin-1-yl}-thiazole-5-carbonitrile
- IUPAC
- 2-[4-[5-methylsulfonyl-2-(1,1,1-trifluoropropan-2-yloxy)benzoyl]piperazin-1-yl]-1,3-thiazole-5-carbonitrile
Names & synonyms
2-{4-[5-Methanesulfonyl-2-(2,2,2-trifluoro-1-methyl-ethoxy)-benzoyl]-piperazin-1-yl}-thiazole-5-carbonitrileSCHEMBL2823786
Database identifiers
- PubChem CID
- 11533236
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 834
Related reactions
2 records
Compound notes
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