3-[2-(4-ethoxyphenyl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one

C15H17NO3S — CID 63312478

IUPAC3-[2-(4-ethoxyphenyl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one
SMILESCCOc1ccc(C(=O)Cn2c(C)c(C)sc2=O)cc1
InChIInChI=1S/C15H17NO3S/c1-4-19-13-7-5-12(6-8-13)14(17)9-16-10(2)11(3)20-15(16)18/h5-8H,4,9H2,1-3H3
InChIKeyLUNVOYUVUWJNLM-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.81
Rot. Bonds5

About 3-[2-(4-ethoxyphenyl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one

3-[2-(4-ethoxyphenyl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one (PubChem CID 63312478) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 3-[2-(4-ethoxyphenyl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-(4-ethoxyphenyl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one
PubChem CID63312478
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name3-[2-(4-ethoxyphenyl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one
SMILESCCOc1ccc(C(=O)Cn2c(C)c(C)sc2=O)cc1
InChIInChI=1S/C15H17NO3S/c1-4-19-13-7-5-12(6-8-13)14(17)9-16-10(2)11(3)20-15(16)18/h5-8H,4,9H2,1-3H3
InChIKeyLUNVOYUVUWJNLM-UHFFFAOYSA-N
XLogP2.81
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(4-ethoxyphenyl)-2-oxoethyl]-1,3-thiazol-2-one
CID 63312406
3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one
CID 63312250
1-(4-ethoxyphenyl)-3-(4-methylphenyl)propane-1,3-dione
CID 18428766
1-[2-(4-ethoxyphenyl)-2-oxoethyl]-4-methylpyrazine-2,3-dione
CID 62928915
1-[2-(4-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 62024838
1-[2-(4-ethoxyphenyl)-2-oxoethyl]pyrrolidin-2-one
CID 62018618
5-bromo-3-[2-(4-ethoxyphenyl)-2-oxoethyl]-6-methylpyrimidin-4-one
CID 66308125
1,8-bis(4-ethoxyphenyl)octane-1,8-dione
CID 3098381
1-(4-ethoxyphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
CID 51889233
2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-(4-ethoxyphenyl)ethanone
CID 104967905
5-chloro-1-[2-(4-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 66425954
4-[2-(4-ethoxyphenyl)-2-oxoethyl]-1-methyl-1,4-diazepan-2-one
CID 102889619

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-ethoxyphenyl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one?
The IUPAC name of 3-[2-(4-ethoxyphenyl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one (CID 63312478) is 3-[2-(4-ethoxyphenyl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-(4-ethoxyphenyl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-(4-ethoxyphenyl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one is CCOc1ccc(C(=O)Cn2c(C)c(C)sc2=O)cc1.
What is the InChIKey of 3-[2-(4-ethoxyphenyl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one?
The InChIKey is LUNVOYUVUWJNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-4-19-13-7-5-12(6-8-13)14(17)9-16-10(2)11(3)20-15(16)18/h5-8H,4,9H2,1-3H3.
What are the key properties of 3-[2-(4-ethoxyphenyl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one?
3-[2-(4-ethoxyphenyl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one has a molecular weight of 291.37 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-ethoxyphenyl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one is sourced from PubChem (CID 63312478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).