N-(3-fluorophenyl)-1,3-benzothiazole-6-carboxamide

HCID 712469

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Basic information

CAS: 681168-90-1
Standard SMILES: O=C(Nc1cccc(F)c1)c1ccc2ncsc2c1
InChIKey: CJCANTYTSYHSEF-UHFFFAOYSA-N
Molecular formula: C14H9FN2OS
Average molar mass: 272.3 g/mol
Monoisotopic mass: 272.04196225

Names & identifiers

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

Names & synonyms

N-(3-fluorophenyl)-1,3-benzothiazole-6-carboxamide681168-90-1N-(3-fluorophenyl)benzo[d]thiazole-6-carboxamideOprea1_725384MLS001182347CHEMBL1529521DTXSID901327216HMS1715O03HMS2863B17KUC109887NAKOS001043459KSC-242-036-B

Show more names

WAY-349828SMR000568002AB00726740-01Z28142952F0537-0336

Database identifiers

CAS: 681168-90-1
PubChem CID: 712469
DTXSID: DTXSID901327216
ChEMBL: CHEMBL1529521

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 70.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 19
Formal charge: 0
Complexity: 341

Experimental & physicochemical properties

Solubility39.8 [ug/mL] (The mean of the results at pH 7.4)

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