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

C22H15Cl2N3O2S — CID 16627796

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

(2Z,5Z)-5-[(4-chlorophenyl)methylidene]-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one (PubChem CID 16627796) has the molecular formula C22H15Cl2N3O2S and a molecular weight of 456.35 g/mol. Its IUPAC name is (2Z,5Z)-5-[(4-chlorophenyl)methylidene]-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (2Z,5Z)-5-[(4-chlorophenyl)methylidene]-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
• PubChem CID: 16627796
• Molecular Formula: C22H15Cl2N3O2S
• Molecular Weight: 456.35 g/mol
• Exact Mass: 455.03
• IUPAC Name: (2Z,5Z)-5-[(4-chlorophenyl)methylidene]-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
• SMILES: O=C1/C(=C/c2ccc(Cl)cc2)S/C(=N\N=C\c2ccc(Cl)cc2)N1Cc1ccco1
• InChI: InChI=1S/C22H15Cl2N3O2S/c23-17-7-3-15(4-8-17)12-20-21(28)27(14-19-2-1-11-29-19)22(30-20)26-25-13-16-5-9-18(24)10-6-16/h1-13H,14H2/b20-12-,25-13+,26-22-
• InChIKey: DKKPFSVTODTHQT-PLQJZNNASA-N
• XLogP: 6.09
• 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	456.35
LogP ≤ 5	6.09
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 (2Z,5Z)-5-[(4-chlorophenyl)methylidene]-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one?

The IUPAC name of (2Z,5Z)-5-[(4-chlorophenyl)methylidene]-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one (CID 16627796) is (2Z,5Z)-5-[(4-chlorophenyl)methylidene]-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one.

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

The canonical SMILES for (2Z,5Z)-5-[(4-chlorophenyl)methylidene]-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one is O=C1/C(=C/c2ccc(Cl)cc2)S/C(=N\N=C\c2ccc(Cl)cc2)N1Cc1ccco1.

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

The InChIKey is DKKPFSVTODTHQT-PLQJZNNASA-N. The full InChI is InChI=1S/C22H15Cl2N3O2S/c23-17-7-3-15(4-8-17)12-20-21(28)27(14-19-2-1-11-29-19)22(30-20)26-25-13-16-5-9-18(24)10-6-16/h1-13H,14H2/b20-12-,25-13+,26-22-.

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

(2Z,5Z)-5-[(4-chlorophenyl)methylidene]-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one has a molecular weight of 456.35 g/mol, XLogP of 6.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z,5Z)-5-[(4-chlorophenyl)methylidene]-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 16627796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).