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

C17H19NO3S2 — CID 3820114

IUPAC2-(3-ethoxy-4-methoxyphenyl)-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one
SMILESCCOc1cc(C2SCC(=O)N2Cc2cccs2)ccc1OC
InChIInChI=1S/C17H19NO3S2/c1-3-21-15-9-12(6-7-14(15)20-2)17-18(16(19)11-23-17)10-13-5-4-8-22-13/h4-9,17H,3,10-11H2,1-2H3
InChIKeyBMLMZEXIIDUYOC-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.93
Rot. Bonds6

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

2-(3-ethoxy-4-methoxyphenyl)-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one (PubChem CID 3820114) has the molecular formula C17H19NO3S2 and a molecular weight of 349.48 g/mol. Its IUPAC name is 2-(3-ethoxy-4-methoxyphenyl)-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3-ethoxy-4-methoxyphenyl)-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one
PubChem CID3820114
Molecular FormulaC17H19NO3S2
Molecular Weight349.48 g/mol
Exact Mass349.08
IUPAC Name2-(3-ethoxy-4-methoxyphenyl)-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one
SMILESCCOc1cc(C2SCC(=O)N2Cc2cccs2)ccc1OC
InChIInChI=1S/C17H19NO3S2/c1-3-21-15-9-12(6-7-14(15)20-2)17-18(16(19)11-23-17)10-13-5-4-8-22-13/h4-9,17H,3,10-11H2,1-2H3
InChIKeyBMLMZEXIIDUYOC-UHFFFAOYSA-N
XLogP3.93
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-ethoxy-4-methoxyphenyl)-3-(2-ethylsulfanylethyl)-1,3-thiazolidin-4-one
CID 3807342
3-[2-(diethylamino)ethyl]-2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 23854988
3-(1H-benzimidazol-2-ylmethyl)-2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 23738121
2-(3-methoxy-4-phenylmethoxyphenyl)-3-(2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one
CID 23848088
2-(3-ethoxy-4-methoxyphenyl)-3-[2-(2-hydroxyethoxy)ethyl]-1,3-thiazolidin-4-one
CID 3410937
3-[(3,4-dimethoxyphenyl)methyl]-2-(3-ethoxyphenyl)-1,3-thiazolidin-4-one
CID 4995225
3-[(2,6-difluorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3388079
2-(3,4-dimethoxyphenyl)-3-(2-ethoxyethyl)-1,3-thiazolidin-4-one
CID 3817985
3-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one
CID 3769250
2-(3-ethoxy-4-methoxyphenyl)-3-(2-methoxyethyl)-1,3-thiazinan-4-one
CID 3600311
(2S)-2-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one
CID 7107838
3-butyl-2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazinan-4-one
CID 3727519

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-4-methoxyphenyl)-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3-ethoxy-4-methoxyphenyl)-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one (CID 3820114) is 2-(3-ethoxy-4-methoxyphenyl)-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3-ethoxy-4-methoxyphenyl)-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3-ethoxy-4-methoxyphenyl)-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one is CCOc1cc(C2SCC(=O)N2Cc2cccs2)ccc1OC.
What is the InChIKey of 2-(3-ethoxy-4-methoxyphenyl)-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one?
The InChIKey is BMLMZEXIIDUYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S2/c1-3-21-15-9-12(6-7-14(15)20-2)17-18(16(19)11-23-17)10-13-5-4-8-22-13/h4-9,17H,3,10-11H2,1-2H3.
What are the key properties of 2-(3-ethoxy-4-methoxyphenyl)-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one?
2-(3-ethoxy-4-methoxyphenyl)-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one has a molecular weight of 349.48 g/mol, XLogP of 3.93, 6 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-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3820114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).