Basic information
- CAS
681168-82-1- Standard SMILES
O=C(Nc1cccc(Cl)c1)c1ccc2ncsc2c1- InChIKey
YWYKVHIGDJYQQC-UHFFFAOYSA-N- Molecular formula
- C14H9ClN2OS
- Average molar mass
- 288.8 g/mol
- Monoisotopic mass
- 288.0124118
Names & identifiers
- Preferred name
- N-(3-chlorophenyl)-1,3-benzothiazole-6-carboxamide
- IUPAC
- N-(3-chlorophenyl)-1,3-benzothiazole-6-carboxamide
Names & synonyms
N-(3-chlorophenyl)-1,3-benzothiazole-6-carboxamideOprea1_239877MLS001182311CHEMBL1396533DTXSID101324420HMS2867A15AKOS001043400681168-82-1SMR000567999AB00726709-01Z28140841
Database identifiers
- CAS
681168-82-1- PubChem CID
- 712463
- DTXSID
DTXSID101324420- ChEMBL
CHEMBL1396533
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 341
Experimental & physicochemical properties
Solubility21.2 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…