(2E,5Z)-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-(3-phenoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C28H19Br2N3O4S — CID 19246402

About (2E,5Z)-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-(3-phenoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2E,5Z)-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-(3-phenoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 19246402) has the molecular formula C28H19Br2N3O4S and a molecular weight of 653.35 g/mol. Its IUPAC name is (2E,5Z)-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-(3-phenoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (2E,5Z)-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-(3-phenoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
• PubChem CID: 19246402
• Molecular Formula: C28H19Br2N3O4S
• Molecular Weight: 653.35 g/mol
• Exact Mass: 650.95
• IUPAC Name: (2E,5Z)-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-(3-phenoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
• SMILES: O=C1/C(=C/c2cc(Br)cc(Br)c2O)S/C(=N/N=C\c2cccc(Oc3ccccc3)c2)N1Cc1ccco1
• InChI: InChI=1S/C28H19Br2N3O4S/c29-20-13-19(26(34)24(30)15-20)14-25-27(35)33(17-23-10-5-11-36-23)28(38-25)32-31-16-18-6-4-9-22(12-18)37-21-7-2-1-3-8-21/h1-16,34H,17H2/b25-14-,31-16-,32-28+
• InChIKey: BORLJGOHUGMHCT-SMOKGVOFSA-N
• XLogP: 7.81
• TPSA: 87.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	653.35
LogP ≤ 5	7.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2E,5Z)-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-(3-phenoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?

The IUPAC name of (2E,5Z)-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-(3-phenoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 19246402) is (2E,5Z)-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-(3-phenoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

What is the SMILES notation for (2E,5Z)-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-(3-phenoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?

The canonical SMILES for (2E,5Z)-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-(3-phenoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1/C(=C/c2cc(Br)cc(Br)c2O)S/C(=N/N=C\c2cccc(Oc3ccccc3)c2)N1Cc1ccco1.

What is the InChIKey of (2E,5Z)-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-(3-phenoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?

The InChIKey is BORLJGOHUGMHCT-SMOKGVOFSA-N. The full InChI is InChI=1S/C28H19Br2N3O4S/c29-20-13-19(26(34)24(30)15-20)14-25-27(35)33(17-23-10-5-11-36-23)28(38-25)32-31-16-18-6-4-9-22(12-18)37-21-7-2-1-3-8-21/h1-16,34H,17H2/b25-14-,31-16-,32-28+.

What are the key properties of (2E,5Z)-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-(3-phenoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?

(2E,5Z)-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-(3-phenoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 653.35 g/mol, XLogP of 7.81, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,5Z)-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-(3-phenoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 19246402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).