(5Z)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one

C26H19N3O2S — CID 126025956

About (5Z)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one

(5Z)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 126025956) has the molecular formula C26H19N3O2S and a molecular weight of 437.52 g/mol. Its IUPAC name is (5Z)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5Z)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
• PubChem CID: 126025956
• Molecular Formula: C26H19N3O2S
• Molecular Weight: 437.52 g/mol
• Exact Mass: 437.12
• IUPAC Name: (5Z)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
• SMILES: O=C1/C(=C/c2cccn2-c2ccc(O)cc2)S/C(=N\c2ccccc2)N1c1ccccc1
• InChI: InChI=1S/C26H19N3O2S/c30-23-15-13-20(14-16-23)28-17-7-12-22(28)18-24-25(31)29(21-10-5-2-6-11-21)26(32-24)27-19-8-3-1-4-9-19/h1-18,30H/b24-18-,27-26-
• InChIKey: RKOPVIFOWSNIPW-DZNDYGJHSA-N
• XLogP: 5.99
• TPSA: 57.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	437.52
LogP ≤ 5	5.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_rhod_C(13)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one?

The IUPAC name of (5Z)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one (CID 126025956) is (5Z)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one.

What is the SMILES notation for (5Z)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one?

The canonical SMILES for (5Z)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one is O=C1/C(=C/c2cccn2-c2ccc(O)cc2)S/C(=N\c2ccccc2)N1c1ccccc1.

What is the InChIKey of (5Z)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one?

The InChIKey is RKOPVIFOWSNIPW-DZNDYGJHSA-N. The full InChI is InChI=1S/C26H19N3O2S/c30-23-15-13-20(14-16-23)28-17-7-12-22(28)18-24-25(31)29(21-10-5-2-6-11-21)26(32-24)27-19-8-3-1-4-9-19/h1-18,30H/b24-18-,27-26-.

What are the key properties of (5Z)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one?

(5Z)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 437.52 g/mol, XLogP of 5.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 126025956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).