1-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]ethanone

C11H7ClFNOS — CID 64542794

IUPAC1-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(-c2c(F)cccc2Cl)n1
InChIInChI=1S/C11H7ClFNOS/c1-6(15)9-5-16-11(14-9)10-7(12)3-2-4-8(10)13/h2-5H,1H3
InChIKeyCHZSIINHYJTZNI-UHFFFAOYSA-N
MW255.70 g/mol
LogP3.81
Rot. Bonds2

About 1-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]ethanone

1-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]ethanone (PubChem CID 64542794) has the molecular formula C11H7ClFNOS and a molecular weight of 255.70 g/mol. Its IUPAC name is 1-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]ethanone
PubChem CID64542794
Molecular FormulaC11H7ClFNOS
Molecular Weight255.70 g/mol
Exact Mass254.99
IUPAC Name1-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(-c2c(F)cccc2Cl)n1
InChIInChI=1S/C11H7ClFNOS/c1-6(15)9-5-16-11(14-9)10-7(12)3-2-4-8(10)13/h2-5H,1H3
InChIKeyCHZSIINHYJTZNI-UHFFFAOYSA-N
XLogP3.81
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]acetate
CID 80574224
1-[2-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazol-4-yl]ethanone
CID 116890235
1-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]ethanol
CID 64544730
1-[2-(4-fluoro-3-methylphenyl)-1,3-thiazol-4-yl]ethanone
CID 64543606
5-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
CID 63356026
2-(2,6-dichlorophenyl)-1,3-thiazole-4-carbothioamide
CID 82515860
1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethanone
CID 64542603
1-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethanone
CID 64543607
1-[2-(2-bromo-6-fluorophenyl)-1,3-thiazol-4-yl]-2-chloroethanone
CID 114884533
4-chloro-2-(2,6-difluorophenyl)-1,3-thiazole
CID 83158211
1-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone
CID 64542408
4-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]aniline
CID 62501412

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]ethanone (CID 64542794) is 1-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]ethanone is CC(=O)c1csc(-c2c(F)cccc2Cl)n1.
What is the InChIKey of 1-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]ethanone?
The InChIKey is CHZSIINHYJTZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFNOS/c1-6(15)9-5-16-11(14-9)10-7(12)3-2-4-8(10)13/h2-5H,1H3.
What are the key properties of 1-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]ethanone?
1-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]ethanone has a molecular weight of 255.70 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 64542794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).