(5Z)-5-[[4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-3-(2-phenylethyl)-1,3-thiazolidine-2,4-dione

C29H23NO3S — CID 126215429

About (5Z)-5-[[4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-3-(2-phenylethyl)-1,3-thiazolidine-2,4-dione

(5Z)-5-[[4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-3-(2-phenylethyl)-1,3-thiazolidine-2,4-dione (PubChem CID 126215429) has the molecular formula C29H23NO3S and a molecular weight of 465.57 g/mol. Its IUPAC name is (5Z)-5-[[4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-3-(2-phenylethyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5Z)-5-[[4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-3-(2-phenylethyl)-1,3-thiazolidine-2,4-dione
• PubChem CID: 126215429
• Molecular Formula: C29H23NO3S
• Molecular Weight: 465.57 g/mol
• Exact Mass: 465.14
• IUPAC Name: (5Z)-5-[[4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-3-(2-phenylethyl)-1,3-thiazolidine-2,4-dione
• SMILES: O=C1S/C(=C\c2ccc(OCc3ccc4ccccc4c3)cc2)C(=O)N1CCc1ccccc1
• InChI: InChI=1S/C29H23NO3S/c31-28-27(34-29(32)30(28)17-16-21-6-2-1-3-7-21)19-22-11-14-26(15-12-22)33-20-23-10-13-24-8-4-5-9-25(24)18-23/h1-15,18-19H,16-17,20H2/b27-19-
• InChIKey: HVCFRMRQZQVWDG-DIBXZPPDSA-N
• XLogP: 6.70
• TPSA: 46.61 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.57
LogP ≤ 5	6.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-3-(2-phenylethyl)-1,3-thiazolidine-2,4-dione?

The IUPAC name of (5Z)-5-[[4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-3-(2-phenylethyl)-1,3-thiazolidine-2,4-dione (CID 126215429) is (5Z)-5-[[4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-3-(2-phenylethyl)-1,3-thiazolidine-2,4-dione.

What is the SMILES notation for (5Z)-5-[[4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-3-(2-phenylethyl)-1,3-thiazolidine-2,4-dione?

The canonical SMILES for (5Z)-5-[[4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-3-(2-phenylethyl)-1,3-thiazolidine-2,4-dione is O=C1S/C(=C\c2ccc(OCc3ccc4ccccc4c3)cc2)C(=O)N1CCc1ccccc1.

What is the InChIKey of (5Z)-5-[[4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-3-(2-phenylethyl)-1,3-thiazolidine-2,4-dione?

The InChIKey is HVCFRMRQZQVWDG-DIBXZPPDSA-N. The full InChI is InChI=1S/C29H23NO3S/c31-28-27(34-29(32)30(28)17-16-21-6-2-1-3-7-21)19-22-11-14-26(15-12-22)33-20-23-10-13-24-8-4-5-9-25(24)18-23/h1-15,18-19H,16-17,20H2/b27-19-.

What are the key properties of (5Z)-5-[[4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-3-(2-phenylethyl)-1,3-thiazolidine-2,4-dione?

(5Z)-5-[[4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-3-(2-phenylethyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 465.57 g/mol, XLogP of 6.70, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-5-[[4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-3-(2-phenylethyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 126215429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).