(2E,5Z)-2-[(Z)-(3-bromophenyl)methylidenehydrazinylidene]-5-[(2-fluorophenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one

C22H15BrFN3O2S — CID 19246661

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

(2E,5Z)-2-[(Z)-(3-bromophenyl)methylidenehydrazinylidene]-5-[(2-fluorophenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one (PubChem CID 19246661) has the molecular formula C22H15BrFN3O2S and a molecular weight of 484.35 g/mol. Its IUPAC name is (2E,5Z)-2-[(Z)-(3-bromophenyl)methylidenehydrazinylidene]-5-[(2-fluorophenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (2E,5Z)-2-[(Z)-(3-bromophenyl)methylidenehydrazinylidene]-5-[(2-fluorophenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
• PubChem CID: 19246661
• Molecular Formula: C22H15BrFN3O2S
• Molecular Weight: 484.35 g/mol
• Exact Mass: 483.01
• IUPAC Name: (2E,5Z)-2-[(Z)-(3-bromophenyl)methylidenehydrazinylidene]-5-[(2-fluorophenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
• SMILES: O=C1/C(=C/c2ccccc2F)S/C(=N/N=C\c2cccc(Br)c2)N1Cc1ccco1
• InChI: InChI=1S/C22H15BrFN3O2S/c23-17-7-3-5-15(11-17)13-25-26-22-27(14-18-8-4-10-29-18)21(28)20(30-22)12-16-6-1-2-9-19(16)24/h1-13H,14H2/b20-12-,25-13-,26-22+
• InChIKey: BKIYTDYRLWWTJT-QCTNQPINSA-N
• XLogP: 5.69
• TPSA: 58.17 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.35
LogP ≤ 5	5.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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)-2-[(Z)-(3-bromophenyl)methylidenehydrazinylidene]-5-[(2-fluorophenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one?

The IUPAC name of (2E,5Z)-2-[(Z)-(3-bromophenyl)methylidenehydrazinylidene]-5-[(2-fluorophenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one (CID 19246661) is (2E,5Z)-2-[(Z)-(3-bromophenyl)methylidenehydrazinylidene]-5-[(2-fluorophenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one.

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

The canonical SMILES for (2E,5Z)-2-[(Z)-(3-bromophenyl)methylidenehydrazinylidene]-5-[(2-fluorophenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one is O=C1/C(=C/c2ccccc2F)S/C(=N/N=C\c2cccc(Br)c2)N1Cc1ccco1.

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

The InChIKey is BKIYTDYRLWWTJT-QCTNQPINSA-N. The full InChI is InChI=1S/C22H15BrFN3O2S/c23-17-7-3-5-15(11-17)13-25-26-22-27(14-18-8-4-10-29-18)21(28)20(30-22)12-16-6-1-2-9-19(16)24/h1-13H,14H2/b20-12-,25-13-,26-22+.

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

(2E,5Z)-2-[(Z)-(3-bromophenyl)methylidenehydrazinylidene]-5-[(2-fluorophenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one has a molecular weight of 484.35 g/mol, XLogP of 5.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,5Z)-2-[(Z)-(3-bromophenyl)methylidenehydrazinylidene]-5-[(2-fluorophenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 19246661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).