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

C12H11NOS — CID 64543607

IUPAC1-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(-c2cccc(C)c2)n1
InChIInChI=1S/C12H11NOS/c1-8-4-3-5-10(6-8)12-13-11(7-15-12)9(2)14/h3-7H,1-2H3
InChIKeyKATOAISEZAOBSJ-UHFFFAOYSA-N
MW217.29 g/mol
LogP3.32
Rot. Bonds2

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

1-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethanone (PubChem CID 64543607) has the molecular formula C12H11NOS and a molecular weight of 217.29 g/mol. Its IUPAC name is 1-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethanone
PubChem CID64543607
Molecular FormulaC12H11NOS
Molecular Weight217.29 g/mol
Exact Mass217.06
IUPAC Name1-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(-c2cccc(C)c2)n1
InChIInChI=1S/C12H11NOS/c1-8-4-3-5-10(6-8)12-13-11(7-15-12)9(2)14/h3-7H,1-2H3
InChIKeyKATOAISEZAOBSJ-UHFFFAOYSA-N
XLogP3.32
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(Z)-3-amino-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]but-2-enenitrile
CID 24587673
1-[2-(4-fluoro-3-methylphenyl)-1,3-thiazol-4-yl]ethanone
CID 64543606
1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 22888692
N-(5,6-difluoro-1H-indol-3-yl)-2-(3-methylphenyl)-1,3-thiazole-4-carboxamide
CID 170195153
1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethanone
CID 64542603
4-(dimethoxymethyl)-2-(3-methylphenyl)-1,3-thiazole
CID 66057136
4-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylic acid
CID 16780334
N,N-diethyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 78809222
1-[2-(3-methylphenyl)-1,3-thiazol-4-yl]cyclopropane-1-carboxylic acid
CID 82380243
2-(3-hydroxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 43140162
N-cyclopropyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 17438306
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 111663091

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethanone (CID 64543607) is 1-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethanone is CC(=O)c1csc(-c2cccc(C)c2)n1.
What is the InChIKey of 1-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethanone?
The InChIKey is KATOAISEZAOBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NOS/c1-8-4-3-5-10(6-8)12-13-11(7-15-12)9(2)14/h3-7H,1-2H3.
What are the key properties of 1-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethanone?
1-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethanone has a molecular weight of 217.29 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 64543607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).