5-[[4-[3-(2,4-dimethoxyphenyl)phenoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

C24H21NO5S — CID 59768295

About 5-[[4-[3-(2,4-dimethoxyphenyl)phenoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

5-[[4-[3-(2,4-dimethoxyphenyl)phenoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 59768295) has the molecular formula C24H21NO5S and a molecular weight of 435.50 g/mol. Its IUPAC name is 5-[[4-[3-(2,4-dimethoxyphenyl)phenoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[[4-[3-(2,4-dimethoxyphenyl)phenoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
• PubChem CID: 59768295
• Molecular Formula: C24H21NO5S
• Molecular Weight: 435.50 g/mol
• Exact Mass: 435.11
• IUPAC Name: 5-[[4-[3-(2,4-dimethoxyphenyl)phenoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
• SMILES: COc1ccc(-c2cccc(Oc3ccc(CC4SC(=O)NC4=O)cc3)c2)c(OC)c1
• InChI: InChI=1S/C24H21NO5S/c1-28-18-10-11-20(21(14-18)29-2)16-4-3-5-19(13-16)30-17-8-6-15(7-9-17)12-22-23(26)25-24(27)31-22/h3-11,13-14,22H,12H2,1-2H3,(H,25,26,27)
• InChIKey: NQDJUDLOUYUDLZ-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 73.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.50
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[3-(2,4-dimethoxyphenyl)phenoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?

The IUPAC name of 5-[[4-[3-(2,4-dimethoxyphenyl)phenoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 59768295) is 5-[[4-[3-(2,4-dimethoxyphenyl)phenoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

What is the SMILES notation for 5-[[4-[3-(2,4-dimethoxyphenyl)phenoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?

The canonical SMILES for 5-[[4-[3-(2,4-dimethoxyphenyl)phenoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is COc1ccc(-c2cccc(Oc3ccc(CC4SC(=O)NC4=O)cc3)c2)c(OC)c1.

What is the InChIKey of 5-[[4-[3-(2,4-dimethoxyphenyl)phenoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?

The InChIKey is NQDJUDLOUYUDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO5S/c1-28-18-10-11-20(21(14-18)29-2)16-4-3-5-19(13-16)30-17-8-6-15(7-9-17)12-22-23(26)25-24(27)31-22/h3-11,13-14,22H,12H2,1-2H3,(H,25,26,27).

What are the key properties of 5-[[4-[3-(2,4-dimethoxyphenyl)phenoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?

5-[[4-[3-(2,4-dimethoxyphenyl)phenoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 435.50 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[4-[3-(2,4-dimethoxyphenyl)phenoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 59768295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).