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

C13H11F2NOS — CID 107512597

IUPAC1-(2,3-difluoro-4-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCc1nc(CC(=O)c2ccc(C)c(F)c2F)cs1
InChIInChI=1S/C13H11F2NOS/c1-7-3-4-10(13(15)12(7)14)11(17)5-9-6-18-8(2)16-9/h3-4,6H,5H2,1-2H3
InChIKeyKZUVPUAKOKVIIG-UHFFFAOYSA-N
MW267.30 g/mol
LogP3.46
Rot. Bonds3

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

1-(2,3-difluoro-4-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone (PubChem CID 107512597) has the molecular formula C13H11F2NOS and a molecular weight of 267.30 g/mol. Its IUPAC name is 1-(2,3-difluoro-4-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(2,3-difluoro-4-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
PubChem CID107512597
Molecular FormulaC13H11F2NOS
Molecular Weight267.30 g/mol
Exact Mass267.05
IUPAC Name1-(2,3-difluoro-4-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCc1nc(CC(=O)c2ccc(C)c(F)c2F)cs1
InChIInChI=1S/C13H11F2NOS/c1-7-3-4-10(13(15)12(7)14)11(17)5-9-6-18-8(2)16-9/h3-4,6H,5H2,1-2H3
InChIKeyKZUVPUAKOKVIIG-UHFFFAOYSA-N
XLogP3.46
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-4-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 114979454
2-(2-methyl-1,3-thiazol-4-yl)-1-(2,4,5-trimethylphenyl)ethanone
CID 64990036
1-(5-bromo-2-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 79742726
1-(2-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 62800198
1-(3-bromo-2-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 114979463
1-(2,4-dimethoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 62799846
1-(4-iodophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 114979460
1-(2-methyl-1,3-thiazol-4-yl)butan-2-one
CID 62799842
1-(2-amino-3-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 107469186
N-(2,6-difluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110463255
N-[(2-methylphenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 31251684
N-cyclopropyl-2,3,4-trifluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 110718279

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone (CID 107512597) is 1-(2,3-difluoro-4-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-(2,3-difluoro-4-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-(2,3-difluoro-4-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone is Cc1nc(CC(=O)c2ccc(C)c(F)c2F)cs1.
What is the InChIKey of 1-(2,3-difluoro-4-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The InChIKey is KZUVPUAKOKVIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NOS/c1-7-3-4-10(13(15)12(7)14)11(17)5-9-6-18-8(2)16-9/h3-4,6H,5H2,1-2H3.
What are the key properties of 1-(2,3-difluoro-4-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
1-(2,3-difluoro-4-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone has a molecular weight of 267.30 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluoro-4-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 107512597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).