Basic information
- CAS
328087-12-3- Standard SMILES
Cc1cc(-c2nc3c(F)cccc3s2)ccc1N- InChIKey
ILHIPVYEKVGUKF-UHFFFAOYSA-N- Molecular formula
- C14H11FN2S
- Average molar mass
- 258.32 g/mol
- Monoisotopic mass
- 258.06269769
Names & identifiers
- Preferred name
- Benzenamine, 4-(4-fluoro-2-benzothiazolyl)-2-methyl-
- IUPAC
- 4-(4-fluoro-1,3-benzothiazol-2-yl)-2-methylaniline
Names & synonyms
4-(4-fluoro-1,3-benzothiazol-2-yl)-2-methylanilineNSC706705Benzenamine, 4-(4-fluoro-2-benzothiazolyl)-2-methyl-NSC-706705328087-12-3CHEMBL35789SCHEMBL5691128DTXSID10327952NCI60_037965
Database identifiers
- CAS
328087-12-3- PubChem CID
- 397873
- DTXSID
DTXSID10327952- ChEMBL
CHEMBL35789- Nikkaji
- J1.540.637B
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 302
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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