3-[2-(4-ethylphenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one

C14H15NO2S — CID 62025239

IUPAC3-[2-(4-ethylphenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one
SMILESCCc1ccc(C(=O)Cn2c(C)csc2=O)cc1
InChIInChI=1S/C14H15NO2S/c1-3-11-4-6-12(7-5-11)13(16)8-15-10(2)9-18-14(15)17/h4-7,9H,3,8H2,1-2H3
InChIKeyJWZLRAGAIOZNCU-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.66
Rot. Bonds4

About 3-[2-(4-ethylphenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one

3-[2-(4-ethylphenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one (PubChem CID 62025239) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 3-[2-(4-ethylphenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-(4-ethylphenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one
PubChem CID62025239
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name3-[2-(4-ethylphenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one
SMILESCCc1ccc(C(=O)Cn2c(C)csc2=O)cc1
InChIInChI=1S/C14H15NO2S/c1-3-11-4-6-12(7-5-11)13(16)8-15-10(2)9-18-14(15)17/h4-7,9H,3,8H2,1-2H3
InChIKeyJWZLRAGAIOZNCU-UHFFFAOYSA-N
XLogP2.66
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(3-fluorophenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one
CID 62024519
4-[[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]methyl]benzoic acid
CID 43171939
4-methyl-3-(3-oxo-3-phenylpropyl)-1,3-thiazol-2-one
CID 116691894
ethyl 3-[2-(4-bromophenyl)-2-oxoethyl]-2-oxo-1,3-thiazole-4-carboxylate
CID 75478831
N-ethyl-4-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]benzamide
CID 87005139
4-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]benzamide
CID 9192131
2-amino-1-(4-ethylphenyl)ethanone
CID 19427259
1-[2-(4-ethylphenyl)-2-oxoethyl]azepane-2,7-dione
CID 62023043
1-[2-(4-ethylphenyl)-2-oxoethyl]-5-methylpyrimidin-2-one
CID 63206293
(4-phenylphenyl)methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 8813224
1-(4-ethylphenyl)-2-pyrrolidin-1-ylethanone
CID 43219356
methyl 5-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]oxymethyl]furan-2-carboxylate
CID 8850705

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-ethylphenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one?
The IUPAC name of 3-[2-(4-ethylphenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one (CID 62025239) is 3-[2-(4-ethylphenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-(4-ethylphenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-(4-ethylphenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one is CCc1ccc(C(=O)Cn2c(C)csc2=O)cc1.
What is the InChIKey of 3-[2-(4-ethylphenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one?
The InChIKey is JWZLRAGAIOZNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-3-11-4-6-12(7-5-11)13(16)8-15-10(2)9-18-14(15)17/h4-7,9H,3,8H2,1-2H3.
What are the key properties of 3-[2-(4-ethylphenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one?
3-[2-(4-ethylphenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one has a molecular weight of 261.35 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-ethylphenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 62025239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).