4-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]butan-2-one

C15H17NOS — CID 116886466

IUPAC4-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]butan-2-one
SMILESCC(=O)CCc1sc(-c2cccc(C)c2)nc1C
InChIInChI=1S/C15H17NOS/c1-10-5-4-6-13(9-10)15-16-12(3)14(18-15)8-7-11(2)17/h4-6,9H,7-8H2,1-3H3
InChIKeyCPTWVESMTOQSTA-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.95
Rot. Bonds4

About 4-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]butan-2-one

4-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]butan-2-one (PubChem CID 116886466) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 4-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]butan-2-one.

Molecular Properties

Compound Name4-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]butan-2-one
PubChem CID116886466
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name4-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]butan-2-one
SMILESCC(=O)CCc1sc(-c2cccc(C)c2)nc1C
InChIInChI=1S/C15H17NOS/c1-10-5-4-6-13(9-10)15-16-12(3)14(18-15)8-7-11(2)17/h4-6,9H,7-8H2,1-3H3
InChIKeyCPTWVESMTOQSTA-UHFFFAOYSA-N
XLogP3.95
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethyl-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide
CID 7502972
4-[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]butan-2-one
CID 116886465
3-[2-(3-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propanoic acid
CID 82433961
4-chloro-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide
CID 7222771
2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]-N-(2-methylpropyl)acetamide
CID 110329629
4-[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]butan-2-one
CID 116886477
3-[4-(methoxymethyl)-2-(3-methylphenyl)-1,3-thiazol-5-yl]propanoic acid
CID 82440255
1-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-one
CID 82302253
4-methyl-2-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 116887735
2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]-2-oxoacetaldehyde
CID 12748654
N-[3-(dimethylamino)propyl]-2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 110329641
N'-(3-methylphenyl)-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]oxamide
CID 7222821

Frequently Asked Questions

What is the IUPAC name of 4-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]butan-2-one?
The IUPAC name of 4-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]butan-2-one (CID 116886466) is 4-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]butan-2-one.
What is the SMILES notation for 4-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]butan-2-one?
The canonical SMILES for 4-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]butan-2-one is CC(=O)CCc1sc(-c2cccc(C)c2)nc1C.
What is the InChIKey of 4-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]butan-2-one?
The InChIKey is CPTWVESMTOQSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-10-5-4-6-13(9-10)15-16-12(3)14(18-15)8-7-11(2)17/h4-6,9H,7-8H2,1-3H3.
What are the key properties of 4-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]butan-2-one?
4-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]butan-2-one has a molecular weight of 259.37 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]butan-2-one is sourced from PubChem (CID 116886466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).