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

C18H19NO4S — CID 4055124

IUPAC2-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(N2C(=O)CSC2c2cccc(OC)c2OC)cc1
InChIInChI=1S/C18H19NO4S/c1-21-13-9-7-12(8-10-13)19-16(20)11-24-18(19)14-5-4-6-15(22-2)17(14)23-3/h4-10,18H,11H2,1-3H3
InChIKeyAAKUGLDBNILBQK-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.49
Rot. Bonds5

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

2-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 4055124) has the molecular formula C18H19NO4S and a molecular weight of 345.42 g/mol. Its IUPAC name is 2-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID4055124
Molecular FormulaC18H19NO4S
Molecular Weight345.42 g/mol
Exact Mass345.10
IUPAC Name2-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(N2C(=O)CSC2c2cccc(OC)c2OC)cc1
InChIInChI=1S/C18H19NO4S/c1-21-13-9-7-12(8-10-13)19-16(20)11-24-18(19)14-5-4-6-15(22-2)17(14)23-3/h4-10,18H,11H2,1-3H3
InChIKeyAAKUGLDBNILBQK-UHFFFAOYSA-N
XLogP3.49
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one (CID 4055124) is 2-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one is COc1ccc(N2C(=O)CSC2c2cccc(OC)c2OC)cc1.
What is the InChIKey of 2-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is AAKUGLDBNILBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4S/c1-21-13-9-7-12(8-10-13)19-16(20)11-24-18(19)14-5-4-6-15(22-2)17(14)23-3/h4-10,18H,11H2,1-3H3.
What are the key properties of 2-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
2-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 345.42 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 4055124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).