Basic information
- Standard SMILES
Nc1ccc(-c2nc3c(F)cccc3s2)cc1- InChIKey
PIHNGKFWWSAHPY-UHFFFAOYSA-N- Molecular formula
- C13H9FN2S
- Average molar mass
- 244.29 g/mol
Names & identifiers
- Preferred name
- 4-(4-Fluoro-benzothiazol-2-yl)-phenylamine
- IUPAC
- 4-(4-fluoro-1,3-benzothiazol-2-yl)aniline
Names & synonyms
SCHEMBL3680730PIHNGKFWWSAHPY-UHFFFAOYSA-N4-fluoro-2-(4'-aminophenyl)benzothiazole4-fluoro-2-(4'-aminophenyl) benzothiazole4-(4-fluoro-benzothiazol-2-yl)-phenylamine4-(4-fluoro-1,3-benzothiazol-2-yl)phenylamine
Database identifiers
- PubChem CID
- 10198733
- Nikkaji
- J1.540.642I
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 268
Related reactions
3 records
Compound notes
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