2-(4-fluorophenyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one

C13H10FNOS — CID 50989434

IUPAC2-(4-fluorophenyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one
SMILESO=C1CCCc2nc(-c3ccc(F)cc3)sc21
InChIInChI=1S/C13H10FNOS/c14-9-6-4-8(5-7-9)13-15-10-2-1-3-11(16)12(10)17-13/h4-7H,1-3H2
InChIKeyRYKWWGXGOXTIJV-UHFFFAOYSA-N
MW247.29 g/mol
LogP3.47
Rot. Bonds1

About 2-(4-fluorophenyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one

2-(4-fluorophenyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one (PubChem CID 50989434) has the molecular formula C13H10FNOS and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one
PubChem CID50989434
Molecular FormulaC13H10FNOS
Molecular Weight247.29 g/mol
Exact Mass247.05
IUPAC Name2-(4-fluorophenyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one
SMILESO=C1CCCc2nc(-c3ccc(F)cc3)sc21
InChIInChI=1S/C13H10FNOS/c14-9-6-4-8(5-7-9)13-15-10-2-1-3-11(16)12(10)17-13/h4-7H,1-3H2
InChIKeyRYKWWGXGOXTIJV-UHFFFAOYSA-N
XLogP3.47
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Methyl-2-phenyl-1,3-thiazol-5-yl)ethan-1-one
CID 540397
2-(1,3-Benzothiazol-2-yl)-1-phenylethan-1-one
CID 2435387
1-(5-Methyl-2-phenyl-1,3-thiazol-4-yl)ethanone
CID 4616789
2-(2-phenylethynyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 53235518
2-Methyl-5-(4-methylphenyl)imino-1,3-benzothiazole-4,7-dione
CID 53711055
(E)-3-(dimethylamino)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-propen-1-one
CID 5376566
1-(4-Methyl-2-phenyl-1,3-thiazol-5-yl)-2-(phenylsulfanyl)-1-ethanone
CID 1477678
1-[2-(2,4-Difluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-one
CID 2806145
1-[2-(4-Fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-one
CID 8964238
Thiazolyl derivative, 2
CID 10018679
2-[(4-Methylphenyl)sulfanyl]-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1-ethanone
CID 1477665
2-[(4-Fluorophenyl)sulfanyl]-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1-ethanone
CID 1477679

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one?
The IUPAC name of 2-(4-fluorophenyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one (CID 50989434) is 2-(4-fluorophenyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one.
What is the SMILES notation for 2-(4-fluorophenyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one?
The canonical SMILES for 2-(4-fluorophenyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one is O=C1CCCc2nc(-c3ccc(F)cc3)sc21.
What is the InChIKey of 2-(4-fluorophenyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one?
The InChIKey is RYKWWGXGOXTIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNOS/c14-9-6-4-8(5-7-9)13-15-10-2-1-3-11(16)12(10)17-13/h4-7H,1-3H2.
What are the key properties of 2-(4-fluorophenyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one?
2-(4-fluorophenyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one has a molecular weight of 247.29 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one is sourced from PubChem (CID 50989434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).