1-(4-Methyl-2-(3-methylphenyl)-5-thiazolyl)ethanone

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Basic information

CAS: 54001-04-6
Standard SMILES: CC(=O)c1sc(-c2cccc(C)c2)nc1C
InChIKey: QPGNMFJGNIXSOP-UHFFFAOYSA-N
Molecular formula: C13H13NOS
Average molar mass: 231.32 g/mol
Monoisotopic mass: 231.07178521

Names & identifiers

Preferred name: 1-(4-Methyl-2-(3-methylphenyl)-5-thiazolyl)ethanone
IUPAC: 1-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethanone

Names & synonyms

1-[4-Methyl-2-(3-methylphenyl)-5-thiazolyl]ethanone54001-04-61-(4-Methyl-2-(3-methylphenyl)-5-thiazolyl)ethanoneRefChem:225403SCHEMBL28836012SCHEMBL29782929DTXSID301224327AKOS009040717Z1185944521-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethan-1-one

Database identifiers

CAS: 54001-04-6
PubChem CID: 540530
DTXSID: DTXSID301224327

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 58.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 269

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Compound notes

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