2-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide

HCID 748071

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Basic information

CAS: 79091-19-3
Standard SMILES: COc1ccc2nc(NC(=O)c3ccccc3F)sc2c1
InChIKey: SQMVHBDARTZKJX-UHFFFAOYSA-N
Molecular formula: C15H11FN2O2S
Average molar mass: 302.3 g/mol
Monoisotopic mass: 302.05252693

Names & identifiers

Preferred name: 2-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
IUPAC: 2-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide

Names & synonyms

2-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide79091-19-32-Fluoro-N-(6-methoxy-benzothiazol-2-yl)-benzamideOprea1_378864Oprea1_657309MLS001210975SCHEMBL4919731CHEMBL1349759DTXSID601327312HMS2822B08STK082027STK853040

Show more names

AKOS000598535AKOS005630368SMR000517376EU-0001659ST50302043AH-034/04477035SR-01000401407SR-01000401407-1

Database identifiers

CAS: 79091-19-3
PubChem CID: 748071
DTXSID: DTXSID601327312
ChEMBL: CHEMBL1349759

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 79.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 21
Formal charge: 0
Complexity: 385

Experimental & physicochemical properties

Solubility0.5 [ug/mL] (The mean of the results at pH 7.4)

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