Basic information
- Standard SMILES
O=C(O)c1ccc2nc(N3CCC(F)(F)CC3)sc2c1- InChIKey
XWNBXGZHCKJYDX-UHFFFAOYSA-N- Molecular formula
- C13H12F2N2O2S
- Average molar mass
- 298.31 g/mol
- Monoisotopic mass
- 298.05875513
Names & identifiers
- Preferred name
- 2-(4,4-Difluoropiperidin-1-yl)benzo[d]thiazole-6-carboxylic acid
- IUPAC
- 2-(4,4-difluoropiperidin-1-yl)-1,3-benzothiazole-6-carboxylic acid
Names & synonyms
2-(4,4-Difluoropiperidin-1-yl)benzo[d]thiazole-6-carboxylic acidSCHEMBL693271
Database identifiers
- PubChem CID
- 59625916
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 387
Related reactions
17 records
Compound notes
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