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

C15H17NOS — CID 116886465

IUPAC4-[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]butan-2-one
SMILESCC(=O)CCc1sc(-c2ccccc2C)nc1C
InChIInChI=1S/C15H17NOS/c1-10-6-4-5-7-13(10)15-16-12(3)14(18-15)9-8-11(2)17/h4-7H,8-9H2,1-3H3
InChIKeyWGUVOHBUXZVBHL-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.95
Rot. Bonds4

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

4-[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]butan-2-one (PubChem CID 116886465) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 4-[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]butan-2-one.

Molecular Properties

Compound Name4-[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]butan-2-one
PubChem CID116886465
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name4-[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]butan-2-one
SMILESCC(=O)CCc1sc(-c2ccccc2C)nc1C
InChIInChI=1S/C15H17NOS/c1-10-6-4-5-7-13(10)15-16-12(3)14(18-15)9-8-11(2)17/h4-7H,8-9H2,1-3H3
InChIKeyWGUVOHBUXZVBHL-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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Frequently Asked Questions

What is the IUPAC name of 4-[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]butan-2-one?
The IUPAC name of 4-[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]butan-2-one (CID 116886465) is 4-[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]butan-2-one.
What is the SMILES notation for 4-[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]butan-2-one?
The canonical SMILES for 4-[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]butan-2-one is CC(=O)CCc1sc(-c2ccccc2C)nc1C.
What is the InChIKey of 4-[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]butan-2-one?
The InChIKey is WGUVOHBUXZVBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-10-6-4-5-7-13(10)15-16-12(3)14(18-15)9-8-11(2)17/h4-7H,8-9H2,1-3H3.
What are the key properties of 4-[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]butan-2-one?
4-[4-methyl-2-(2-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-(2-methylphenyl)-1,3-thiazol-5-yl]butan-2-one is sourced from PubChem (CID 116886465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).