Basic information
- Standard SMILES
Fc1ccc2c(C3CCNCC3)nsc2c1- InChIKey
NPIPDFQZQCZATJ-UHFFFAOYSA-N- Molecular formula
- C12H13FN2S
- Average molar mass
- 236.31 g/mol
Names & identifiers
- Preferred name
- 6-Fluoro-3-(4-piperidinyl)-1,2-benzisothiazole
- IUPAC
- 6-fluoro-3-piperidin-4-yl-1,2-benzothiazole
Names & synonyms
6-fluoro-3-(4-piperidinyl)-1,2-benzisothiazole179820-83-8SCHEMBL1545776SCHEMBL8467925SCHEMBL8678218NPIPDFQZQCZATJ-UHFFFAOYSA-NDB-186317
Database identifiers
- PubChem CID
- 18504976
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 53.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 245
Related reactions
212 records
Compound notes
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