3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one

C20H23NO4S — CID 2860044

IUPAC3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(C2SCC(=O)N2CCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C20H23NO4S/c1-23-16-7-5-15(6-8-16)20-21(19(22)13-26-20)11-10-14-4-9-17(24-2)18(12-14)25-3/h4-9,12,20H,10-11,13H2,1-3H3
InChIKeyPWVPGZDPDJQELP-UHFFFAOYSA-N
MW373.47 g/mol
LogP3.53
Rot. Bonds7

About 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one

3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 2860044) has the molecular formula C20H23NO4S and a molecular weight of 373.47 g/mol. Its IUPAC name is 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID2860044
Molecular FormulaC20H23NO4S
Molecular Weight373.47 g/mol
Exact Mass373.13
IUPAC Name3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(C2SCC(=O)N2CCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C20H23NO4S/c1-23-16-7-5-15(6-8-16)20-21(19(22)13-26-20)11-10-14-4-9-17(24-2)18(12-14)25-3/h4-9,12,20H,10-11,13H2,1-3H3
InChIKeyPWVPGZDPDJQELP-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one (CID 2860044) is 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one is COc1ccc(C2SCC(=O)N2CCc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is PWVPGZDPDJQELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4S/c1-23-16-7-5-15(6-8-16)20-21(19(22)13-26-20)11-10-14-4-9-17(24-2)18(12-14)25-3/h4-9,12,20H,10-11,13H2,1-3H3.
What are the key properties of 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 373.47 g/mol, XLogP of 3.53, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 2860044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).