N-(4-methoxyphenyl)-1,3-benzothiazole-6-carboxamide

HCID 712478

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Basic information

CAS: 681169-01-7
Standard SMILES: COc1ccc(NC(=O)c2ccc3ncsc3c2)cc1
InChIKey: RJNWSUQYHYIZAF-UHFFFAOYSA-N
Molecular formula: C15H12N2O2S
Average molar mass: 284.3 g/mol
Monoisotopic mass: 284.0619488

Names & identifiers

Preferred name: N-(4-methoxyphenyl)-1,3-benzothiazole-6-carboxamide
IUPAC: N-(4-methoxyphenyl)-1,3-benzothiazole-6-carboxamide

Names & synonyms

N-(4-methoxyphenyl)-1,3-benzothiazole-6-carboxamide681169-01-7N-(4-methoxyphenyl)benzo[d]thiazole-6-carboxamideMaybridge4_003812Oprea1_580433MLS001182371CHEMBL1346125DTXSID001325768HMS1531N06HMS2851F23KUC109891NAKOS001046740

Show more names

KSC-242-036-FSMR000568004BRD-K34550012-001-01-3Z28138730F0537-0356

Database identifiers

CAS: 681169-01-7
PubChem CID: 712478
DTXSID: DTXSID001325768
ChEMBL: CHEMBL1346125

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 79.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 20
Formal charge: 0
Complexity: 345

Experimental & physicochemical properties

Solubility1.3 [ug/mL] (The mean of the results at pH 7.4)

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