Basic information
- Standard SMILES
COc1cc(Nc2nc3ccccc3s2)ccc1Cl- InChIKey
RYEDBTLXXFENAG-UHFFFAOYSA-N- Molecular formula
- C14H11ClN2OS
- Average molar mass
- 290.8 g/mol
- Monoisotopic mass
- 290.0280618
Names & identifiers
- Preferred name
- Benzothiazol-2-yl-(4-chloro-3-methoxy-phenyl)-amine
- IUPAC
- N-(4-chloro-3-methoxyphenyl)-1,3-benzothiazol-2-amine
Names & synonyms
SCHEMBL5023068RYEDBTLXXFENAG-UHFFFAOYSA-NBenzothiazol-2-yl-(4-chloro-3-methoxy-phenyl)-amine
Database identifiers
- PubChem CID
- 86017111
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 62.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 307
Related reactions
2 records
Compound notes
Loading…