1-(2-methyl-4-phenyl-1,3-thiazol-5-yl)ethanone

C12H11NOS — CID 59263615

IUPAC1-(2-methyl-4-phenyl-1,3-thiazol-5-yl)ethanone
SMILESCC(=O)c1sc(C)nc1-c1ccccc1
InChIInChI=1S/C12H11NOS/c1-8(14)12-11(13-9(2)15-12)10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKeyKNZKCCIJDYPVAE-UHFFFAOYSA-N
MW217.29 g/mol
LogP3.32
Rot. Bonds2

About 1-(2-methyl-4-phenyl-1,3-thiazol-5-yl)ethanone

1-(2-methyl-4-phenyl-1,3-thiazol-5-yl)ethanone (PubChem CID 59263615) has the molecular formula C12H11NOS and a molecular weight of 217.29 g/mol. Its IUPAC name is 1-(2-methyl-4-phenyl-1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2-methyl-4-phenyl-1,3-thiazol-5-yl)ethanone
PubChem CID59263615
Molecular FormulaC12H11NOS
Molecular Weight217.29 g/mol
Exact Mass217.06
IUPAC Name1-(2-methyl-4-phenyl-1,3-thiazol-5-yl)ethanone
SMILESCC(=O)c1sc(C)nc1-c1ccccc1
InChIInChI=1S/C12H11NOS/c1-8(14)12-11(13-9(2)15-12)10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKeyKNZKCCIJDYPVAE-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

2-methyl-4-(4-phenylphenyl)-1,3-thiazole-5-carboxylic acid
CID 95495373
2-methyl-N'-(4-methylbenzoyl)-4-phenyl-1,3-thiazole-5-carbohydrazide
CID 9086784
(2-methyl-4-phenyl-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone
CID 24638936
2-[methyl-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 119358383
2-methyl-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 90854958
N-(1-cyclopropylethyl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 17466495
N-(3-aminopropyl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 119404834
(3-methyl-1,2-oxazol-5-yl)methyl 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 9478731
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 7920283
4-(3-bromophenyl)-2-methyl-1,3-thiazole-5-carboxylic acid
CID 82226681
4-(3-aminophenyl)-2-methyl-1,3-thiazole-5-carboxylic acid
CID 82226719
1-[4-(3-chloro-2-methylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanone
CID 82540986

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-4-phenyl-1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-(2-methyl-4-phenyl-1,3-thiazol-5-yl)ethanone (CID 59263615) is 1-(2-methyl-4-phenyl-1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(2-methyl-4-phenyl-1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(2-methyl-4-phenyl-1,3-thiazol-5-yl)ethanone is CC(=O)c1sc(C)nc1-c1ccccc1.
What is the InChIKey of 1-(2-methyl-4-phenyl-1,3-thiazol-5-yl)ethanone?
The InChIKey is KNZKCCIJDYPVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NOS/c1-8(14)12-11(13-9(2)15-12)10-6-4-3-5-7-10/h3-7H,1-2H3.
What are the key properties of 1-(2-methyl-4-phenyl-1,3-thiazol-5-yl)ethanone?
1-(2-methyl-4-phenyl-1,3-thiazol-5-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-methyl-4-phenyl-1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 59263615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).