2-(2-methyl-1,3-thiazol-4-yl)-1-(2,4,5-trimethylphenyl)ethanone

C15H17NOS — CID 64990036

IUPAC2-(2-methyl-1,3-thiazol-4-yl)-1-(2,4,5-trimethylphenyl)ethanone
SMILESCc1nc(CC(=O)c2cc(C)c(C)cc2C)cs1
InChIInChI=1S/C15H17NOS/c1-9-5-11(3)14(6-10(9)2)15(17)7-13-8-18-12(4)16-13/h5-6,8H,7H2,1-4H3
InChIKeyYAXVAVSIYQVVJC-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.80
Rot. Bonds3

About 2-(2-methyl-1,3-thiazol-4-yl)-1-(2,4,5-trimethylphenyl)ethanone

2-(2-methyl-1,3-thiazol-4-yl)-1-(2,4,5-trimethylphenyl)ethanone (PubChem CID 64990036) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)-1-(2,4,5-trimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)-1-(2,4,5-trimethylphenyl)ethanone
PubChem CID64990036
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)-1-(2,4,5-trimethylphenyl)ethanone
SMILESCc1nc(CC(=O)c2cc(C)c(C)cc2C)cs1
InChIInChI=1S/C15H17NOS/c1-9-5-11(3)14(6-10(9)2)15(17)7-13-8-18-12(4)16-13/h5-6,8H,7H2,1-4H3
InChIKeyYAXVAVSIYQVVJC-UHFFFAOYSA-N
XLogP3.80
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.80
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
1-(2-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 62800198
1-(2-fluoro-4-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 114979454
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-(3-bromo-2-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 114979463
1-(5-bromo-2-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 79742726
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
1-(4-amino-3,5-dichlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 116609921
1-(2-methyl-4-pyridinyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 106754677
1-(4,5-dibromothiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 114979416

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-1-(2,4,5-trimethylphenyl)ethanone?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-1-(2,4,5-trimethylphenyl)ethanone (CID 64990036) is 2-(2-methyl-1,3-thiazol-4-yl)-1-(2,4,5-trimethylphenyl)ethanone.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)-1-(2,4,5-trimethylphenyl)ethanone?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)-1-(2,4,5-trimethylphenyl)ethanone is Cc1nc(CC(=O)c2cc(C)c(C)cc2C)cs1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)-1-(2,4,5-trimethylphenyl)ethanone?
The InChIKey is YAXVAVSIYQVVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-9-5-11(3)14(6-10(9)2)15(17)7-13-8-18-12(4)16-13/h5-6,8H,7H2,1-4H3.
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)-1-(2,4,5-trimethylphenyl)ethanone?
2-(2-methyl-1,3-thiazol-4-yl)-1-(2,4,5-trimethylphenyl)ethanone has a molecular weight of 259.37 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)-1-(2,4,5-trimethylphenyl)ethanone is sourced from PubChem (CID 64990036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).