1-(2,4-difluorophenyl)-2-(2H-1,3-thiazol-3-yl)ethanone

C11H9F2NOS — CID 67571267

IUPAC1-(2,4-difluorophenyl)-2-(2H-1,3-thiazol-3-yl)ethanone
SMILESO=C(CN1C=CSC1)c1ccc(F)cc1F
InChIInChI=1S/C11H9F2NOS/c12-8-1-2-9(10(13)5-8)11(15)6-14-3-4-16-7-14/h1-5H,6-7H2
InChIKeyPJCNQJPVQIWFEO-UHFFFAOYSA-N
MW241.26 g/mol
LogP2.62
Rot. Bonds3

About 1-(2,4-difluorophenyl)-2-(2H-1,3-thiazol-3-yl)ethanone

1-(2,4-difluorophenyl)-2-(2H-1,3-thiazol-3-yl)ethanone (PubChem CID 67571267) has the molecular formula C11H9F2NOS and a molecular weight of 241.26 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-(2H-1,3-thiazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-(2H-1,3-thiazol-3-yl)ethanone
PubChem CID67571267
Molecular FormulaC11H9F2NOS
Molecular Weight241.26 g/mol
Exact Mass241.04
IUPAC Name1-(2,4-difluorophenyl)-2-(2H-1,3-thiazol-3-yl)ethanone
SMILESO=C(CN1C=CSC1)c1ccc(F)cc1F
InChIInChI=1S/C11H9F2NOS/c12-8-1-2-9(10(13)5-8)11(15)6-14-3-4-16-7-14/h1-5H,6-7H2
InChIKeyPJCNQJPVQIWFEO-UHFFFAOYSA-N
XLogP2.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-(2H-1,3-thiazol-3-yl)ethanone?
The IUPAC name of 1-(2,4-difluorophenyl)-2-(2H-1,3-thiazol-3-yl)ethanone (CID 67571267) is 1-(2,4-difluorophenyl)-2-(2H-1,3-thiazol-3-yl)ethanone.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-(2H-1,3-thiazol-3-yl)ethanone?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-(2H-1,3-thiazol-3-yl)ethanone is O=C(CN1C=CSC1)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-(2H-1,3-thiazol-3-yl)ethanone?
The InChIKey is PJCNQJPVQIWFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2NOS/c12-8-1-2-9(10(13)5-8)11(15)6-14-3-4-16-7-14/h1-5H,6-7H2.
What are the key properties of 1-(2,4-difluorophenyl)-2-(2H-1,3-thiazol-3-yl)ethanone?
1-(2,4-difluorophenyl)-2-(2H-1,3-thiazol-3-yl)ethanone has a molecular weight of 241.26 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-(2H-1,3-thiazol-3-yl)ethanone is sourced from PubChem (CID 67571267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).