(2E,5Z)-5-[1-(4-hydroxyphenyl)ethylidene]-3-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one

C26H19N3O2S2 — CID 18845601

About (2E,5Z)-5-[1-(4-hydroxyphenyl)ethylidene]-3-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one

(2E,5Z)-5-[1-(4-hydroxyphenyl)ethylidene]-3-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one (PubChem CID 18845601) has the molecular formula C26H19N3O2S2 and a molecular weight of 469.59 g/mol. Its IUPAC name is (2E,5Z)-5-[1-(4-hydroxyphenyl)ethylidene]-3-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (2E,5Z)-5-[1-(4-hydroxyphenyl)ethylidene]-3-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one
• PubChem CID: 18845601
• Molecular Formula: C26H19N3O2S2
• Molecular Weight: 469.59 g/mol
• Exact Mass: 469.09
• IUPAC Name: (2E,5Z)-5-[1-(4-hydroxyphenyl)ethylidene]-3-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one
• SMILES: C/C(=C1/S/C(=N/c2nc(-c3ccccc3)cs2)N(c2ccccc2)C1=O)c1ccc(O)cc1
• InChI: InChI=1S/C26H19N3O2S2/c1-17(18-12-14-21(30)15-13-18)23-24(31)29(20-10-6-3-7-11-20)26(33-23)28-25-27-22(16-32-25)19-8-4-2-5-9-19/h2-16,30H,1H3/b23-17-,28-26+
• InChIKey: YEHZSMUJDDDVQT-GBPBPLIESA-N
• XLogP: 6.71
• TPSA: 65.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.59
LogP ≤ 5	6.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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 (2E,5Z)-5-[1-(4-hydroxyphenyl)ethylidene]-3-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one?

The IUPAC name of (2E,5Z)-5-[1-(4-hydroxyphenyl)ethylidene]-3-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one (CID 18845601) is (2E,5Z)-5-[1-(4-hydroxyphenyl)ethylidene]-3-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one.

What is the SMILES notation for (2E,5Z)-5-[1-(4-hydroxyphenyl)ethylidene]-3-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one?

The canonical SMILES for (2E,5Z)-5-[1-(4-hydroxyphenyl)ethylidene]-3-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one is C/C(=C1/S/C(=N/c2nc(-c3ccccc3)cs2)N(c2ccccc2)C1=O)c1ccc(O)cc1.

What is the InChIKey of (2E,5Z)-5-[1-(4-hydroxyphenyl)ethylidene]-3-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one?

The InChIKey is YEHZSMUJDDDVQT-GBPBPLIESA-N. The full InChI is InChI=1S/C26H19N3O2S2/c1-17(18-12-14-21(30)15-13-18)23-24(31)29(20-10-6-3-7-11-20)26(33-23)28-25-27-22(16-32-25)19-8-4-2-5-9-19/h2-16,30H,1H3/b23-17-,28-26+.

What are the key properties of (2E,5Z)-5-[1-(4-hydroxyphenyl)ethylidene]-3-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one?

(2E,5Z)-5-[1-(4-hydroxyphenyl)ethylidene]-3-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one has a molecular weight of 469.59 g/mol, XLogP of 6.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,5Z)-5-[1-(4-hydroxyphenyl)ethylidene]-3-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one is sourced from PubChem (CID 18845601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).