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

C13H13NO3S — CID 63312406

IUPAC3-[2-(4-ethoxyphenyl)-2-oxoethyl]-1,3-thiazol-2-one
SMILESCCOc1ccc(C(=O)Cn2ccsc2=O)cc1
InChIInChI=1S/C13H13NO3S/c1-2-17-11-5-3-10(4-6-11)12(15)9-14-7-8-18-13(14)16/h3-8H,2,9H2,1H3
InChIKeyZWPOQIDWHWZLKE-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.19
Rot. Bonds5

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

3-[2-(4-ethoxyphenyl)-2-oxoethyl]-1,3-thiazol-2-one (PubChem CID 63312406) has the molecular formula C13H13NO3S and a molecular weight of 263.32 g/mol. Its IUPAC name is 3-[2-(4-ethoxyphenyl)-2-oxoethyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-(4-ethoxyphenyl)-2-oxoethyl]-1,3-thiazol-2-one
PubChem CID63312406
Molecular FormulaC13H13NO3S
Molecular Weight263.32 g/mol
Exact Mass263.06
IUPAC Name3-[2-(4-ethoxyphenyl)-2-oxoethyl]-1,3-thiazol-2-one
SMILESCCOc1ccc(C(=O)Cn2ccsc2=O)cc1
InChIInChI=1S/C13H13NO3S/c1-2-17-11-5-3-10(4-6-11)12(15)9-14-7-8-18-13(14)16/h3-8H,2,9H2,1H3
InChIKeyZWPOQIDWHWZLKE-UHFFFAOYSA-N
XLogP2.19
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 62024838
1-[2-(4-ethoxyphenyl)-2-oxoethyl]-4-methylpyrazine-2,3-dione
CID 62928915
3-[2-(4-ethoxyphenyl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one
CID 63312478
5-chloro-1-[2-(4-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 66425954
1-(4-ethoxyphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione
CID 30565230
5-bromo-3-[2-(4-ethoxyphenyl)-2-oxoethyl]-6-methylpyrimidin-4-one
CID 66308125
4-[2-(4-butoxyphenyl)-2-oxoethyl]thieno[3,2-b]pyridin-7-one
CID 100634280
1-[2-(4-ethoxyphenyl)-2-oxoethyl]pyrrolidin-2-one
CID 62018618
1-(4-ethoxyphenyl)-2-(3-methyl-2H-imidazol-1-yl)ethanone;hydrobromide
CID 173395195
1-(4-ethoxyphenyl)-4-thiophen-2-ylbutane-1,4-dione
CID 126061913
1,8-bis(4-ethoxyphenyl)octane-1,8-dione
CID 3098381
2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-(4-ethoxyphenyl)ethanone
CID 104967905

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-ethoxyphenyl)-2-oxoethyl]-1,3-thiazol-2-one?
The IUPAC name of 3-[2-(4-ethoxyphenyl)-2-oxoethyl]-1,3-thiazol-2-one (CID 63312406) is 3-[2-(4-ethoxyphenyl)-2-oxoethyl]-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-(4-ethoxyphenyl)-2-oxoethyl]-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-(4-ethoxyphenyl)-2-oxoethyl]-1,3-thiazol-2-one is CCOc1ccc(C(=O)Cn2ccsc2=O)cc1.
What is the InChIKey of 3-[2-(4-ethoxyphenyl)-2-oxoethyl]-1,3-thiazol-2-one?
The InChIKey is ZWPOQIDWHWZLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S/c1-2-17-11-5-3-10(4-6-11)12(15)9-14-7-8-18-13(14)16/h3-8H,2,9H2,1H3.
What are the key properties of 3-[2-(4-ethoxyphenyl)-2-oxoethyl]-1,3-thiazol-2-one?
3-[2-(4-ethoxyphenyl)-2-oxoethyl]-1,3-thiazol-2-one has a molecular weight of 263.32 g/mol, XLogP of 2.19, 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]-1,3-thiazol-2-one is sourced from PubChem (CID 63312406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).