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

C11H7ClFNOS — CID 63524922

IUPAC1-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]ethanone
SMILESCC(=O)c1nc(-c2ccc(F)c(Cl)c2)cs1
InChIInChI=1S/C11H7ClFNOS/c1-6(15)11-14-10(5-16-11)7-2-3-9(13)8(12)4-7/h2-5H,1H3
InChIKeyVHWCTSFUDMAXCT-UHFFFAOYSA-N
MW255.70 g/mol
LogP3.81
Rot. Bonds2

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

1-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]ethanone (PubChem CID 63524922) has the molecular formula C11H7ClFNOS and a molecular weight of 255.70 g/mol. Its IUPAC name is 1-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]ethanone
PubChem CID63524922
Molecular FormulaC11H7ClFNOS
Molecular Weight255.70 g/mol
Exact Mass254.99
IUPAC Name1-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]ethanone
SMILESCC(=O)c1nc(-c2ccc(F)c(Cl)c2)cs1
InChIInChI=1S/C11H7ClFNOS/c1-6(15)11-14-10(5-16-11)7-2-3-9(13)8(12)4-7/h2-5H,1H3
InChIKeyVHWCTSFUDMAXCT-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

4-(3-chloro-4-fluorophenyl)-1,3-thiazole-2-carboxylic acid
CID 79566531
4-(3-chloro-4-fluorophenyl)-2-methyl-1,3-thiazole
CID 116967860
2-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]acetic acid
CID 43120376
1-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]ethanone
CID 63524748
1-[4-(4-iodophenyl)-1,3-thiazol-2-yl]ethanone
CID 104623092
1-[4-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]ethanone
CID 116867500
4-(3-chloro-4-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 62942920
2-chloro-1-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]ethanone
CID 83969157
4-(4-fluoro-3-methylphenyl)-1,3-thiazole-2-carboxamide
CID 116967907
1-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]ethanone
CID 63523872
1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]ethanone
CID 46785541
N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 47072656

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]ethanone?
The IUPAC name of 1-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]ethanone (CID 63524922) is 1-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]ethanone.
What is the SMILES notation for 1-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]ethanone?
The canonical SMILES for 1-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]ethanone is CC(=O)c1nc(-c2ccc(F)c(Cl)c2)cs1.
What is the InChIKey of 1-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]ethanone?
The InChIKey is VHWCTSFUDMAXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFNOS/c1-6(15)11-14-10(5-16-11)7-2-3-9(13)8(12)4-7/h2-5H,1H3.
What are the key properties of 1-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]ethanone?
1-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-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-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]ethanone is sourced from PubChem (CID 63524922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).