N-(4-chlorophenyl)-1,3-benzothiazole-6-carboxamide
Basic information
- CAS
681168-80-9- Standard SMILES
O=C(Nc1ccc(Cl)cc1)c1ccc2ncsc2c1- InChIKey
AVAVXKWYUWZUAM-UHFFFAOYSA-N- Molecular formula
- C14H9ClN2OS
- Average molar mass
- 288.8 g/mol
- Monoisotopic mass
- 288.0124118
Names & identifiers
- Preferred name
- N-(4-chlorophenyl)-1,3-benzothiazole-6-carboxamide
- IUPAC
- N-(4-chlorophenyl)-1,3-benzothiazole-6-carboxamide
Names & synonyms
N-(4-chlorophenyl)-1,3-benzothiazole-6-carboxamideMaybridge4_003724MLS001182323CHEMBL1399209DTXSID001324160HMS1531J06HMS2881P08KUC109894NAKOS001043591KSC-242-036-K681168-80-9SMR000568000
Show more names
BRD-K78264158-001-01-2Z28161558
Database identifiers
- CAS
681168-80-9- PubChem CID
- 712465
- DTXSID
DTXSID001324160- ChEMBL
CHEMBL1399209
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
- 333
Experimental & physicochemical properties
Solubility3.1 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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