2-(4-chloro-3-fluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone

C13H11ClFNOS — CID 114033677

IUPAC2-(4-chloro-3-fluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone
SMILESCc1nc(C)c(C(=O)Cc2ccc(Cl)c(F)c2)s1
InChIInChI=1S/C13H11ClFNOS/c1-7-13(18-8(2)16-7)12(17)6-9-3-4-10(14)11(15)5-9/h3-5H,6H2,1-2H3
InChIKeyFKRBWXRKBVHOMU-UHFFFAOYSA-N
MW283.76 g/mol
LogP3.98
Rot. Bonds3

About 2-(4-chloro-3-fluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone

2-(4-chloro-3-fluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone (PubChem CID 114033677) has the molecular formula C13H11ClFNOS and a molecular weight of 283.76 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone
PubChem CID114033677
Molecular FormulaC13H11ClFNOS
Molecular Weight283.76 g/mol
Exact Mass283.02
IUPAC Name2-(4-chloro-3-fluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone
SMILESCc1nc(C)c(C(=O)Cc2ccc(Cl)c(F)c2)s1
InChIInChI=1S/C13H11ClFNOS/c1-7-13(18-8(2)16-7)12(17)6-9-3-4-10(14)11(15)5-9/h3-5H,6H2,1-2H3
InChIKeyFKRBWXRKBVHOMU-UHFFFAOYSA-N
XLogP3.98
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanone
CID 107890839
2-(4-chloro-3-fluorophenyl)-1-(3,5-dimethylphenyl)ethanone
CID 107890556
2-(4-chloro-3-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanone
CID 107890538
2-(4-chloro-3-fluorophenyl)-1-(2-methyl-4-pyridinyl)ethanone
CID 107890599
2-(4-chloro-3-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanone
CID 114012654
2-(4-chloro-3-fluorophenyl)-1-(6-chloro-3-pyridinyl)ethanone
CID 114012626
1-(2-bromo-4-methylphenyl)-2-(4-chloro-3-fluorophenyl)ethanone
CID 107890805
1-(4-chloro-3-fluorophenyl)-3,3-difluorobutan-2-one
CID 130985316
1-(3-bromo-4-chlorophenyl)-2-(4-chloro-3-fluorophenyl)ethanone
CID 107884087
2-(4-chloro-3-fluorophenyl)-1-(2,3-dichlorophenyl)ethanone
CID 107890555
1-(4-chloro-3-fluorophenyl)-4-methylpent-3-en-2-one
CID 107884163
1-(2-bromo-5-methoxyphenyl)-2-(4-chloro-3-fluorophenyl)ethanone
CID 107890861

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone (CID 114033677) is 2-(4-chloro-3-fluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone is Cc1nc(C)c(C(=O)Cc2ccc(Cl)c(F)c2)s1.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone?
The InChIKey is FKRBWXRKBVHOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNOS/c1-7-13(18-8(2)16-7)12(17)6-9-3-4-10(14)11(15)5-9/h3-5H,6H2,1-2H3.
What are the key properties of 2-(4-chloro-3-fluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone?
2-(4-chloro-3-fluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone has a molecular weight of 283.76 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 114033677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).