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

C13H13NOS — CID 63524041

IUPAC1-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]ethanone
SMILESCC(=O)c1nc(-c2ccc(C)cc2)c(C)s1
InChIInChI=1S/C13H13NOS/c1-8-4-6-11(7-5-8)12-10(3)16-13(14-12)9(2)15/h4-7H,1-3H3
InChIKeyADFCQHKITNHPHJ-UHFFFAOYSA-N
MW231.32 g/mol
LogP3.63
Rot. Bonds2

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

1-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]ethanone (PubChem CID 63524041) has the molecular formula C13H13NOS and a molecular weight of 231.32 g/mol. Its IUPAC name is 1-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]ethanone
PubChem CID63524041
Molecular FormulaC13H13NOS
Molecular Weight231.32 g/mol
Exact Mass231.07
IUPAC Name1-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]ethanone
SMILESCC(=O)c1nc(-c2ccc(C)cc2)c(C)s1
InChIInChI=1S/C13H13NOS/c1-8-4-6-11(7-5-8)12-10(3)16-13(14-12)9(2)15/h4-7H,1-3H3
InChIKeyADFCQHKITNHPHJ-UHFFFAOYSA-N
XLogP3.63
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]ethanone?
The IUPAC name of 1-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]ethanone (CID 63524041) is 1-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]ethanone.
What is the SMILES notation for 1-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]ethanone?
The canonical SMILES for 1-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]ethanone is CC(=O)c1nc(-c2ccc(C)cc2)c(C)s1.
What is the InChIKey of 1-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]ethanone?
The InChIKey is ADFCQHKITNHPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS/c1-8-4-6-11(7-5-8)12-10(3)16-13(14-12)9(2)15/h4-7H,1-3H3.
What are the key properties of 1-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]ethanone?
1-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]ethanone has a molecular weight of 231.32 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]ethanone is sourced from PubChem (CID 63524041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).