(5E)-5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-methyl-2-phenylimino-1,3-thiazolidin-4-one

C29H24N2O3S — CID 6066293

About (5E)-5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-methyl-2-phenylimino-1,3-thiazolidin-4-one

(5E)-5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-methyl-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 6066293) has the molecular formula C29H24N2O3S and a molecular weight of 480.59 g/mol. Its IUPAC name is (5E)-5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-methyl-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5E)-5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-methyl-2-phenylimino-1,3-thiazolidin-4-one
• PubChem CID: 6066293
• Molecular Formula: C29H24N2O3S
• Molecular Weight: 480.59 g/mol
• Exact Mass: 480.15
• IUPAC Name: (5E)-5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-methyl-2-phenylimino-1,3-thiazolidin-4-one
• SMILES: COc1cc(/C=C2/S/C(=N\c3ccccc3)N(C)C2=O)ccc1OCc1cccc2ccccc12
• InChI: InChI=1S/C29H24N2O3S/c1-31-28(32)27(35-29(31)30-23-12-4-3-5-13-23)18-20-15-16-25(26(17-20)33-2)34-19-22-11-8-10-21-9-6-7-14-24(21)22/h3-18H,19H2,1-2H3/b27-18+,30-29-
• InChIKey: HEIIJZWWMMYKRA-DRSSFZSDSA-N
• XLogP: 6.66
• TPSA: 51.13 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.59
LogP ≤ 5	6.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-methyl-2-phenylimino-1,3-thiazolidin-4-one?

The IUPAC name of (5E)-5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-methyl-2-phenylimino-1,3-thiazolidin-4-one (CID 6066293) is (5E)-5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-methyl-2-phenylimino-1,3-thiazolidin-4-one.

What is the SMILES notation for (5E)-5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-methyl-2-phenylimino-1,3-thiazolidin-4-one?

The canonical SMILES for (5E)-5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-methyl-2-phenylimino-1,3-thiazolidin-4-one is COc1cc(/C=C2/S/C(=N\c3ccccc3)N(C)C2=O)ccc1OCc1cccc2ccccc12.

What is the InChIKey of (5E)-5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-methyl-2-phenylimino-1,3-thiazolidin-4-one?

The InChIKey is HEIIJZWWMMYKRA-DRSSFZSDSA-N. The full InChI is InChI=1S/C29H24N2O3S/c1-31-28(32)27(35-29(31)30-23-12-4-3-5-13-23)18-20-15-16-25(26(17-20)33-2)34-19-22-11-8-10-21-9-6-7-14-24(21)22/h3-18H,19H2,1-2H3/b27-18+,30-29-.

What are the key properties of (5E)-5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-methyl-2-phenylimino-1,3-thiazolidin-4-one?

(5E)-5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-methyl-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 480.59 g/mol, XLogP of 6.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5E)-5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-methyl-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 6066293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).