1-(2-fluoro-4-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone

C13H12FNOS — CID 114979454

IUPAC1-(2-fluoro-4-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCc1ccc(C(=O)Cc2csc(C)n2)c(F)c1
InChIInChI=1S/C13H12FNOS/c1-8-3-4-11(12(14)5-8)13(16)6-10-7-17-9(2)15-10/h3-5,7H,6H2,1-2H3
InChIKeyQYJOIBBGRFCPHV-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.32
Rot. Bonds3

About 1-(2-fluoro-4-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone

1-(2-fluoro-4-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone (PubChem CID 114979454) has the molecular formula C13H12FNOS and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-(2-fluoro-4-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(2-fluoro-4-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
PubChem CID114979454
Molecular FormulaC13H12FNOS
Molecular Weight249.31 g/mol
Exact Mass249.06
IUPAC Name1-(2-fluoro-4-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCc1ccc(C(=O)Cc2csc(C)n2)c(F)c1
InChIInChI=1S/C13H12FNOS/c1-8-3-4-11(12(14)5-8)13(16)6-10-7-17-9(2)15-10/h3-5,7H,6H2,1-2H3
InChIKeyQYJOIBBGRFCPHV-UHFFFAOYSA-N
XLogP3.32
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-difluoro-4-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 107512597
N-(2-fluoro-4-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 35595769
1-(5-bromo-2-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 79742726
2-(2-methyl-1,3-thiazol-4-yl)-1-(2,4,5-trimethylphenyl)ethanone
CID 64990036
1-(2-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 62800198
1-(2,4-dimethoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 62799846
2-[2-(2-fluoro-4-methylphenyl)-1,3-thiazol-4-yl]acetic acid
CID 62308557
2-(2,6-dimethylphenyl)-1-(2-fluoro-4-methylphenyl)ethanone
CID 115792574
2-amino-1-(2-fluoro-4-methylphenyl)ethanone
CID 59233227
1-(3-bromo-2-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 114979463
2-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzoic acid
CID 115485203
1-(2-fluoro-4-methylphenyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 115812673

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-(2-fluoro-4-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone (CID 114979454) is 1-(2-fluoro-4-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-(2-fluoro-4-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-(2-fluoro-4-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone is Cc1ccc(C(=O)Cc2csc(C)n2)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The InChIKey is QYJOIBBGRFCPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNOS/c1-8-3-4-11(12(14)5-8)13(16)6-10-7-17-9(2)15-10/h3-5,7H,6H2,1-2H3.
What are the key properties of 1-(2-fluoro-4-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
1-(2-fluoro-4-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone has a molecular weight of 249.31 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 114979454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).