1-[2-(2,4-difluorophenyl)-1,3-thiazol-5-yl]ethanone

C11H7F2NOS — CID 10728680

IUPAC1-[2-(2,4-difluorophenyl)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(-c2ccc(F)cc2F)s1
InChIInChI=1S/C11H7F2NOS/c1-6(15)10-5-14-11(16-10)8-3-2-7(12)4-9(8)13/h2-5H,1H3
InChIKeyVGNVYNFALYLZCF-UHFFFAOYSA-N
MW239.25 g/mol
LogP3.29
Rot. Bonds2

About 1-[2-(2,4-difluorophenyl)-1,3-thiazol-5-yl]ethanone

1-[2-(2,4-difluorophenyl)-1,3-thiazol-5-yl]ethanone (PubChem CID 10728680) has the molecular formula C11H7F2NOS and a molecular weight of 239.25 g/mol. Its IUPAC name is 1-[2-(2,4-difluorophenyl)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(2,4-difluorophenyl)-1,3-thiazol-5-yl]ethanone
PubChem CID10728680
Molecular FormulaC11H7F2NOS
Molecular Weight239.25 g/mol
Exact Mass239.02
IUPAC Name1-[2-(2,4-difluorophenyl)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(-c2ccc(F)cc2F)s1
InChIInChI=1S/C11H7F2NOS/c1-6(15)10-5-14-11(16-10)8-3-2-7(12)4-9(8)13/h2-5H,1H3
InChIKeyVGNVYNFALYLZCF-UHFFFAOYSA-N
XLogP3.29
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-(2,4-difluorophenyl)-1,3-thiazol-5-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-difluorophenyl)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-(2,4-difluorophenyl)-1,3-thiazol-5-yl]ethanone (CID 10728680) is 1-[2-(2,4-difluorophenyl)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(2,4-difluorophenyl)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(2,4-difluorophenyl)-1,3-thiazol-5-yl]ethanone is CC(=O)c1cnc(-c2ccc(F)cc2F)s1.
What is the InChIKey of 1-[2-(2,4-difluorophenyl)-1,3-thiazol-5-yl]ethanone?
The InChIKey is VGNVYNFALYLZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2NOS/c1-6(15)10-5-14-11(16-10)8-3-2-7(12)4-9(8)13/h2-5H,1H3.
What are the key properties of 1-[2-(2,4-difluorophenyl)-1,3-thiazol-5-yl]ethanone?
1-[2-(2,4-difluorophenyl)-1,3-thiazol-5-yl]ethanone has a molecular weight of 239.25 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-difluorophenyl)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 10728680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).