3-[(3,4-dimethoxyphenyl)methyl]-2-(3-ethoxyphenyl)-1,3-thiazolidin-4-one

C20H23NO4S — CID 4995225

IUPAC3-[(3,4-dimethoxyphenyl)methyl]-2-(3-ethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCCOc1cccc(C2SCC(=O)N2Cc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C20H23NO4S/c1-4-25-16-7-5-6-15(11-16)20-21(19(22)13-26-20)12-14-8-9-17(23-2)18(10-14)24-3/h5-11,20H,4,12-13H2,1-3H3
InChIKeyYCKWIVBPQKGIHK-UHFFFAOYSA-N
MW373.47 g/mol
LogP3.88
Rot. Bonds7

About 3-[(3,4-dimethoxyphenyl)methyl]-2-(3-ethoxyphenyl)-1,3-thiazolidin-4-one

3-[(3,4-dimethoxyphenyl)methyl]-2-(3-ethoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 4995225) has the molecular formula C20H23NO4S and a molecular weight of 373.47 g/mol. Its IUPAC name is 3-[(3,4-dimethoxyphenyl)methyl]-2-(3-ethoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[(3,4-dimethoxyphenyl)methyl]-2-(3-ethoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID4995225
Molecular FormulaC20H23NO4S
Molecular Weight373.47 g/mol
Exact Mass373.13
IUPAC Name3-[(3,4-dimethoxyphenyl)methyl]-2-(3-ethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCCOc1cccc(C2SCC(=O)N2Cc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C20H23NO4S/c1-4-25-16-7-5-6-15(11-16)20-21(19(22)13-26-20)12-14-8-9-17(23-2)18(10-14)24-3/h5-11,20H,4,12-13H2,1-3H3
InChIKeyYCKWIVBPQKGIHK-UHFFFAOYSA-N
XLogP3.88
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[(3,4-dimethoxyphenyl)methyl]-2-(3-ethoxyphenyl)-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[4-(dimethylamino)phenyl]methyl]-2-(3-ethoxyphenyl)-1,3-thiazolidin-4-one
CID 3836068
3-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one
CID 3769250
2-(3-ethoxyphenyl)-3-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazolidin-4-one
CID 3796046
2-(3-ethoxyphenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one
CID 3789673
2-(3-ethoxy-4-methoxyphenyl)-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one
CID 3820114
3-[(2,6-difluorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3388079
3-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one
CID 3813482
(2S)-2-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one
CID 7107838
3-(1H-benzimidazol-2-ylmethyl)-2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 23738121
2-(2,6-dimethoxyphenyl)-3-[(5-ethoxy-2-pyridinyl)methyl]-1,3-thiazolidin-4-one
CID 87150687
2-(3,4-dimethoxyphenyl)-3-(2-ethoxyethyl)-1,3-thiazolidin-4-one
CID 3817985
2-(4-ethoxyphenyl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one
CID 3387422

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethoxyphenyl)methyl]-2-(3-ethoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-[(3,4-dimethoxyphenyl)methyl]-2-(3-ethoxyphenyl)-1,3-thiazolidin-4-one (CID 4995225) is 3-[(3,4-dimethoxyphenyl)methyl]-2-(3-ethoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[(3,4-dimethoxyphenyl)methyl]-2-(3-ethoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[(3,4-dimethoxyphenyl)methyl]-2-(3-ethoxyphenyl)-1,3-thiazolidin-4-one is CCOc1cccc(C2SCC(=O)N2Cc2ccc(OC)c(OC)c2)c1.
What is the InChIKey of 3-[(3,4-dimethoxyphenyl)methyl]-2-(3-ethoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is YCKWIVBPQKGIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4S/c1-4-25-16-7-5-6-15(11-16)20-21(19(22)13-26-20)12-14-8-9-17(23-2)18(10-14)24-3/h5-11,20H,4,12-13H2,1-3H3.
What are the key properties of 3-[(3,4-dimethoxyphenyl)methyl]-2-(3-ethoxyphenyl)-1,3-thiazolidin-4-one?
3-[(3,4-dimethoxyphenyl)methyl]-2-(3-ethoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 373.47 g/mol, XLogP of 3.88, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethoxyphenyl)methyl]-2-(3-ethoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 4995225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).