5,6-dichloro-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-3-carboxamide
Basic information
- CAS
872211-39-7- Standard SMILES
Cc1nc2ccc(NC(=O)c3cnc(Cl)c(Cl)c3)cc2s1- InChIKey
PBAMGAYIJCDAJT-UHFFFAOYSA-N- Molecular formula
- C14H9Cl2N3OS
- Average molar mass
- 338.2 g/mol
- Monoisotopic mass
- 336.9843385
Names & identifiers
- Preferred name
- 5,6-dichloro-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-3-carboxamide
- IUPAC
- 5,6-dichloro-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-3-carboxamide
Names & synonyms
5,6-dichloro-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-3-carboxamide872211-39-7MLS001179661CHEMBL1421020DTXSID101323872HMS2895O13AKOS001128508SMR000594993EN300-17979710Z28296795
Database identifiers
- CAS
872211-39-7- PubChem CID
- 8147124
- DTXSID
DTXSID101323872- ChEMBL
CHEMBL1421020
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 400
Experimental & physicochemical properties
Solubility0.3 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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