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

C22H15Cl2N3O3S — CID 16628093

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

(2Z,5Z)-2-[(E)-(2,3-dichlorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 16628093) has the molecular formula C22H15Cl2N3O3S and a molecular weight of 472.35 g/mol. Its IUPAC name is (2Z,5Z)-2-[(E)-(2,3-dichlorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (2Z,5Z)-2-[(E)-(2,3-dichlorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
• PubChem CID: 16628093
• Molecular Formula: C22H15Cl2N3O3S
• Molecular Weight: 472.35 g/mol
• Exact Mass: 471.02
• IUPAC Name: (2Z,5Z)-2-[(E)-(2,3-dichlorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
• SMILES: O=C1/C(=C/c2ccc(O)cc2)S/C(=N\N=C\c2cccc(Cl)c2Cl)N1Cc1ccco1
• InChI: InChI=1S/C22H15Cl2N3O3S/c23-18-5-1-3-15(20(18)24)12-25-26-22-27(13-17-4-2-10-30-17)21(29)19(31-22)11-14-6-8-16(28)9-7-14/h1-12,28H,13H2/b19-11-,25-12+,26-22-
• InChIKey: OVKNSAWWOPNVNF-QOGZZQGHSA-N
• XLogP: 5.80
• TPSA: 78.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.35
LogP ≤ 5	5.80
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of (2Z,5Z)-2-[(E)-(2,3-dichlorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one (CID 16628093) is (2Z,5Z)-2-[(E)-(2,3-dichlorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one.

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

The canonical SMILES for (2Z,5Z)-2-[(E)-(2,3-dichlorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one is O=C1/C(=C/c2ccc(O)cc2)S/C(=N\N=C\c2cccc(Cl)c2Cl)N1Cc1ccco1.

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

The InChIKey is OVKNSAWWOPNVNF-QOGZZQGHSA-N. The full InChI is InChI=1S/C22H15Cl2N3O3S/c23-18-5-1-3-15(20(18)24)12-25-26-22-27(13-17-4-2-10-30-17)21(29)19(31-22)11-14-6-8-16(28)9-7-14/h1-12,28H,13H2/b19-11-,25-12+,26-22-.

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

(2Z,5Z)-2-[(E)-(2,3-dichlorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 472.35 g/mol, XLogP of 5.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z,5Z)-2-[(E)-(2,3-dichlorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 16628093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).