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

C22H14Br3N3O4S — CID 135773142

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

(2E,5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one (PubChem CID 135773142) has the molecular formula C22H14Br3N3O4S and a molecular weight of 656.15 g/mol. Its IUPAC name is (2E,5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (2E,5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
• PubChem CID: 135773142
• Molecular Formula: C22H14Br3N3O4S
• Molecular Weight: 656.15 g/mol
• Exact Mass: 652.83
• IUPAC Name: (2E,5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
• SMILES: O=C1/C(=C/c2cc(Br)ccc2O)S/C(=N/N=C\c2cc(Br)cc(Br)c2O)N1Cc1ccco1
• InChI: InChI=1S/C22H14Br3N3O4S/c23-14-3-4-18(29)12(6-14)8-19-21(31)28(11-16-2-1-5-32-16)22(33-19)27-26-10-13-7-15(24)9-17(25)20(13)30/h1-10,29-30H,11H2/b19-8-,26-10-,27-22+
• InChIKey: LBLHWUXVLNFFQW-PCFCNJCISA-N
• XLogP: 6.48
• TPSA: 98.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	656.15
LogP ≤ 5	6.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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-[(5-bromo-2-hydroxyphenyl)methylidene]-2-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one?

The IUPAC name of (2E,5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one (CID 135773142) is (2E,5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one.

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

The canonical SMILES for (2E,5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one is O=C1/C(=C/c2cc(Br)ccc2O)S/C(=N/N=C\c2cc(Br)cc(Br)c2O)N1Cc1ccco1.

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

The InChIKey is LBLHWUXVLNFFQW-PCFCNJCISA-N. The full InChI is InChI=1S/C22H14Br3N3O4S/c23-14-3-4-18(29)12(6-14)8-19-21(31)28(11-16-2-1-5-32-16)22(33-19)27-26-10-13-7-15(24)9-17(25)20(13)30/h1-10,29-30H,11H2/b19-8-,26-10-,27-22+.

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

(2E,5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one has a molecular weight of 656.15 g/mol, XLogP of 6.48, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135773142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).