1-[2-[2-(difluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanone

C12H9F2NO2S — CID 62653727

IUPAC1-[2-[2-(difluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(-c2ccccc2OC(F)F)s1
InChIInChI=1S/C12H9F2NO2S/c1-7(16)10-6-15-11(18-10)8-4-2-3-5-9(8)17-12(13)14/h2-6,12H,1H3
InChIKeyGXXLFPMUQNGLGE-UHFFFAOYSA-N
MW269.27 g/mol
LogP3.61
Rot. Bonds4

About 1-[2-[2-(difluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanone

1-[2-[2-(difluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanone (PubChem CID 62653727) has the molecular formula C12H9F2NO2S and a molecular weight of 269.27 g/mol. Its IUPAC name is 1-[2-[2-(difluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[2-(difluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanone
PubChem CID62653727
Molecular FormulaC12H9F2NO2S
Molecular Weight269.27 g/mol
Exact Mass269.03
IUPAC Name1-[2-[2-(difluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(-c2ccccc2OC(F)F)s1
InChIInChI=1S/C12H9F2NO2S/c1-7(16)10-6-15-11(18-10)8-4-2-3-5-9(8)17-12(13)14/h2-6,12H,1H3
InChIKeyGXXLFPMUQNGLGE-UHFFFAOYSA-N
XLogP3.61
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-[2-(difluoromethoxy)phenyl]-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

Related Compounds

methyl 2-[2-(difluoromethoxy)-3-pyridinyl]-1,3-thiazole-5-carboxylate
CID 178132972
1-[2-(2-nitrophenyl)-1,3-thiazol-5-yl]ethanone
CID 62652991
[2-(difluoromethoxy)phenyl]-[4-(2-phenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone
CID 55706631
1-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]ethanone
CID 107931854
2-(2-propan-2-yloxyphenyl)-1,3-thiazole-5-carbaldehyde
CID 178133884
1-[4-(difluoromethoxy)-5-fluoro-2-pyridinyl]ethanone
CID 167107554
2-[2-(difluoromethoxy)phenyl]-1,3-dimethylbenzene
CID 151061360
1-[2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]ethanone
CID 130848604
1-[2-(3-phenoxyphenyl)-1,3-thiazol-5-yl]ethanone
CID 62652088
4-[2-(difluoromethoxy)phenyl]pyrimidine-5-carboxylic acid
CID 175455350
1-[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]ethanone
CID 65198189
2-[[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]amino]-3-methylbutanoic acid
CID 119170175

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(difluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-[2-(difluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanone (CID 62653727) is 1-[2-[2-(difluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-[2-(difluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-[2-(difluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanone is CC(=O)c1cnc(-c2ccccc2OC(F)F)s1.
What is the InChIKey of 1-[2-[2-(difluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanone?
The InChIKey is GXXLFPMUQNGLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2NO2S/c1-7(16)10-6-15-11(18-10)8-4-2-3-5-9(8)17-12(13)14/h2-6,12H,1H3.
What are the key properties of 1-[2-[2-(difluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanone?
1-[2-[2-(difluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanone has a molecular weight of 269.27 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(difluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 62653727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).