3-[2-(2,4-difluorophenyl)-2-oxoethyl]-1,3-thiazol-2-one

C11H7F2NO2S — CID 55205415

IUPAC3-[2-(2,4-difluorophenyl)-2-oxoethyl]-1,3-thiazol-2-one
SMILESO=C(Cn1ccsc1=O)c1ccc(F)cc1F
InChIInChI=1S/C11H7F2NO2S/c12-7-1-2-8(9(13)5-7)10(15)6-14-3-4-17-11(14)16/h1-5H,6H2
InChIKeyGFFYCKOYOVKBSA-UHFFFAOYSA-N
MW255.25 g/mol
LogP2.07
Rot. Bonds3

About 3-[2-(2,4-difluorophenyl)-2-oxoethyl]-1,3-thiazol-2-one

3-[2-(2,4-difluorophenyl)-2-oxoethyl]-1,3-thiazol-2-one (PubChem CID 55205415) has the molecular formula C11H7F2NO2S and a molecular weight of 255.25 g/mol. Its IUPAC name is 3-[2-(2,4-difluorophenyl)-2-oxoethyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-(2,4-difluorophenyl)-2-oxoethyl]-1,3-thiazol-2-one
PubChem CID55205415
Molecular FormulaC11H7F2NO2S
Molecular Weight255.25 g/mol
Exact Mass255.02
IUPAC Name3-[2-(2,4-difluorophenyl)-2-oxoethyl]-1,3-thiazol-2-one
SMILESO=C(Cn1ccsc1=O)c1ccc(F)cc1F
InChIInChI=1S/C11H7F2NO2S/c12-7-1-2-8(9(13)5-7)10(15)6-14-3-4-17-11(14)16/h1-5H,6H2
InChIKeyGFFYCKOYOVKBSA-UHFFFAOYSA-N
XLogP2.07
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-Oxo-2-phenylethyl)-1,3-thiazolidine-2,4-dione
CID 652953
2,2,2-trifluoro-N-(3-(2-oxo-2-phenylethyl)-1,3-thiazol-2(3H)-ylidene)acetamide
CID 824469
3-(2-Oxo-2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 91123883
3-Phenacyl-2-thioxo-thiazolidin-4-one
CID 6539158
1-Phenyl-2-(1,3-thiazolidin-3-yl)ethanone
CID 14941162
3-(2-Oxo-2-phenylethyl)-2-thiazolidinone
CID 14941166
1-phenyl-2-(2H-1,3-thiazol-3-yl)ethanone
CID 57119241
1-[2-(4-Fluorophenyl)-2-oxoethyl]pyridin-2(1h)-one
CID 234376
1-Phenacyl-3-(trifluoromethyl)pyridin-2-one
CID 2746343
N-butyl-3-[2-(4-fluorophenyl)-2-oxoethyl]-N,4-dimethyl-2-oxo-1,3-thiazole-5-carboxamide
CID 132467801
N-butyl-3-[2-(2-fluorophenyl)-2-oxoethyl]-N,4-dimethyl-2-oxo-1,3-thiazole-5-carboxamide
CID 132468638
1-(2,4-Difluorophenyl)-2-(4,5-dihydro-1,3-thiazol-3-ium-3-yl)ethanone
CID 18432214

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-difluorophenyl)-2-oxoethyl]-1,3-thiazol-2-one?
The IUPAC name of 3-[2-(2,4-difluorophenyl)-2-oxoethyl]-1,3-thiazol-2-one (CID 55205415) is 3-[2-(2,4-difluorophenyl)-2-oxoethyl]-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-(2,4-difluorophenyl)-2-oxoethyl]-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-(2,4-difluorophenyl)-2-oxoethyl]-1,3-thiazol-2-one is O=C(Cn1ccsc1=O)c1ccc(F)cc1F.
What is the InChIKey of 3-[2-(2,4-difluorophenyl)-2-oxoethyl]-1,3-thiazol-2-one?
The InChIKey is GFFYCKOYOVKBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2NO2S/c12-7-1-2-8(9(13)5-7)10(15)6-14-3-4-17-11(14)16/h1-5H,6H2.
What are the key properties of 3-[2-(2,4-difluorophenyl)-2-oxoethyl]-1,3-thiazol-2-one?
3-[2-(2,4-difluorophenyl)-2-oxoethyl]-1,3-thiazol-2-one has a molecular weight of 255.25 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-difluorophenyl)-2-oxoethyl]-1,3-thiazol-2-one is sourced from PubChem (CID 55205415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).