6-fluoro-2-[1-(4-methylsulfonylphenyl)-3-difluoromethyl-1H-pyrazol-5-yl]benzothiazole

HCID 23285367
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Basic information

Standard SMILES
CS(=O)(=O)c1ccc(-n2nc(C(F)F)cc2-c2nc3ccc(F)cc3s2)cc1
InChIKey
JEIQAHSDZKQPDA-UHFFFAOYSA-N
Molecular formula
C18H12F3N3O2S2
Average molar mass
423.4 g/mol

Names & identifiers

Preferred name
6-fluoro-2-[1-(4-methylsulfonylphenyl)-3-difluoromethyl-1H-pyrazol-5-yl]benzothiazole
IUPAC
2-[3-(difluoromethyl)-1-(4-methylsulfonylphenyl)pyrazol-5-yl]-6-fluoro-1,3-benzothiazole

Names & synonyms

6-fluoro-2-[1-(4-methylsulfonylphenyl)-3-difluoromethyl-1H-pyrazol-5-yl]benzothiazoleSCHEMBL6972326

Database identifiers

PubChem CID
23285367

Properties

Computed structural properties

XLogP
4
Topological polar surface area
101 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
4
Heavy atoms
28

Related reactions

1 records
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Compound notes

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