(5Z)-3-(4-hydroxyphenyl)-5-[[3-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

C24H19NO4S — CID 18840264

About (5Z)-3-(4-hydroxyphenyl)-5-[[3-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-3-(4-hydroxyphenyl)-5-[[3-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 18840264) has the molecular formula C24H19NO4S and a molecular weight of 417.49 g/mol. Its IUPAC name is (5Z)-3-(4-hydroxyphenyl)-5-[[3-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5Z)-3-(4-hydroxyphenyl)-5-[[3-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
• PubChem CID: 18840264
• Molecular Formula: C24H19NO4S
• Molecular Weight: 417.49 g/mol
• Exact Mass: 417.10
• IUPAC Name: (5Z)-3-(4-hydroxyphenyl)-5-[[3-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
• SMILES: Cc1ccc(COc2cccc(/C=C3\SC(=O)N(c4ccc(O)cc4)C3=O)c2)cc1
• InChI: InChI=1S/C24H19NO4S/c1-16-5-7-17(8-6-16)15-29-21-4-2-3-18(13-21)14-22-23(27)25(24(28)30-22)19-9-11-20(26)12-10-19/h2-14,26H,15H2,1H3/b22-14-
• InChIKey: UOROIHJTSKQCSP-HMAPJEAMSA-N
• XLogP: 5.52
• TPSA: 66.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	417.49
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

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)-3-(4-hydroxyphenyl)-5-[[3-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?

The IUPAC name of (5Z)-3-(4-hydroxyphenyl)-5-[[3-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 18840264) is (5Z)-3-(4-hydroxyphenyl)-5-[[3-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

What is the SMILES notation for (5Z)-3-(4-hydroxyphenyl)-5-[[3-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?

The canonical SMILES for (5Z)-3-(4-hydroxyphenyl)-5-[[3-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is Cc1ccc(COc2cccc(/C=C3\SC(=O)N(c4ccc(O)cc4)C3=O)c2)cc1.

What is the InChIKey of (5Z)-3-(4-hydroxyphenyl)-5-[[3-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?

The InChIKey is UOROIHJTSKQCSP-HMAPJEAMSA-N. The full InChI is InChI=1S/C24H19NO4S/c1-16-5-7-17(8-6-16)15-29-21-4-2-3-18(13-21)14-22-23(27)25(24(28)30-22)19-9-11-20(26)12-10-19/h2-14,26H,15H2,1H3/b22-14-.

What are the key properties of (5Z)-3-(4-hydroxyphenyl)-5-[[3-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?

(5Z)-3-(4-hydroxyphenyl)-5-[[3-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 417.49 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-3-(4-hydroxyphenyl)-5-[[3-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 18840264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).