2-(3-ethoxy-4-methoxyphenyl)-3-(2-ethylsulfanylethyl)-1,3-thiazolidin-4-one

C16H23NO3S2 — CID 3807342

IUPAC2-(3-ethoxy-4-methoxyphenyl)-3-(2-ethylsulfanylethyl)-1,3-thiazolidin-4-one
SMILESCCOc1cc(C2SCC(=O)N2CCSCC)ccc1OC
InChIInChI=1S/C16H23NO3S2/c1-4-20-14-10-12(6-7-13(14)19-3)16-17(8-9-21-5-2)15(18)11-22-16/h6-7,10,16H,4-5,8-9,11H2,1-3H3
InChIKeyLZZBNZUCKGPCGZ-UHFFFAOYSA-N
MW341.50 g/mol
LogP3.42
Rot. Bonds8

About 2-(3-ethoxy-4-methoxyphenyl)-3-(2-ethylsulfanylethyl)-1,3-thiazolidin-4-one

2-(3-ethoxy-4-methoxyphenyl)-3-(2-ethylsulfanylethyl)-1,3-thiazolidin-4-one (PubChem CID 3807342) has the molecular formula C16H23NO3S2 and a molecular weight of 341.50 g/mol. Its IUPAC name is 2-(3-ethoxy-4-methoxyphenyl)-3-(2-ethylsulfanylethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3-ethoxy-4-methoxyphenyl)-3-(2-ethylsulfanylethyl)-1,3-thiazolidin-4-one
PubChem CID3807342
Molecular FormulaC16H23NO3S2
Molecular Weight341.50 g/mol
Exact Mass341.11
IUPAC Name2-(3-ethoxy-4-methoxyphenyl)-3-(2-ethylsulfanylethyl)-1,3-thiazolidin-4-one
SMILESCCOc1cc(C2SCC(=O)N2CCSCC)ccc1OC
InChIInChI=1S/C16H23NO3S2/c1-4-20-14-10-12(6-7-13(14)19-3)16-17(8-9-21-5-2)15(18)11-22-16/h6-7,10,16H,4-5,8-9,11H2,1-3H3
InChIKeyLZZBNZUCKGPCGZ-UHFFFAOYSA-N
XLogP3.42
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-(diethylamino)ethyl]-2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 23854988
2-(3-ethoxy-4-methoxyphenyl)-3-[2-(2-hydroxyethoxy)ethyl]-1,3-thiazolidin-4-one
CID 3410937
2-(3,4-dimethoxyphenyl)-3-(2-ethoxyethyl)-1,3-thiazolidin-4-one
CID 3817985
2-(3-ethoxy-4-methoxyphenyl)-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one
CID 3820114
3-(2-ethylsulfanylethyl)-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3872207
(2S)-2-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one
CID 7107838
2-(3-ethoxy-4-methoxyphenyl)-3-(2-methoxyethyl)-1,3-thiazinan-4-one
CID 3600311
3-butyl-2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazinan-4-one
CID 3727519
3-(1H-benzimidazol-2-ylmethyl)-2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 23738121
3-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanenitrile
CID 3859836
4-[3-(2-ethylsulfanylethyl)-4-oxo-1,3-thiazolidin-2-yl]benzonitrile
CID 3308500
(2S)-2-(3,4-dimethoxyphenyl)-3-(2-piperidin-1-ium-1-ylethyl)-1,3-thiazolidin-4-one
CID 6960848

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-4-methoxyphenyl)-3-(2-ethylsulfanylethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3-ethoxy-4-methoxyphenyl)-3-(2-ethylsulfanylethyl)-1,3-thiazolidin-4-one (CID 3807342) is 2-(3-ethoxy-4-methoxyphenyl)-3-(2-ethylsulfanylethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3-ethoxy-4-methoxyphenyl)-3-(2-ethylsulfanylethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3-ethoxy-4-methoxyphenyl)-3-(2-ethylsulfanylethyl)-1,3-thiazolidin-4-one is CCOc1cc(C2SCC(=O)N2CCSCC)ccc1OC.
What is the InChIKey of 2-(3-ethoxy-4-methoxyphenyl)-3-(2-ethylsulfanylethyl)-1,3-thiazolidin-4-one?
The InChIKey is LZZBNZUCKGPCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S2/c1-4-20-14-10-12(6-7-13(14)19-3)16-17(8-9-21-5-2)15(18)11-22-16/h6-7,10,16H,4-5,8-9,11H2,1-3H3.
What are the key properties of 2-(3-ethoxy-4-methoxyphenyl)-3-(2-ethylsulfanylethyl)-1,3-thiazolidin-4-one?
2-(3-ethoxy-4-methoxyphenyl)-3-(2-ethylsulfanylethyl)-1,3-thiazolidin-4-one has a molecular weight of 341.50 g/mol, XLogP of 3.42, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxy-4-methoxyphenyl)-3-(2-ethylsulfanylethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3807342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).