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

C22H16N4O4S — CID 16627475

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

(2Z,5Z)-2-[(E)-benzylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 16627475) has the molecular formula C22H16N4O4S and a molecular weight of 432.46 g/mol. Its IUPAC name is (2Z,5Z)-2-[(E)-benzylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (2Z,5Z)-2-[(E)-benzylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
• PubChem CID: 16627475
• Molecular Formula: C22H16N4O4S
• Molecular Weight: 432.46 g/mol
• Exact Mass: 432.09
• IUPAC Name: (2Z,5Z)-2-[(E)-benzylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
• SMILES: O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)S/C(=N\N=C\c2ccccc2)N1Cc1ccco1
• InChI: InChI=1S/C22H16N4O4S/c27-21-20(13-16-8-10-18(11-9-16)26(28)29)31-22(25(21)15-19-7-4-12-30-19)24-23-14-17-5-2-1-3-6-17/h1-14H,15H2/b20-13-,23-14+,24-22-
• InChIKey: HDTNWDSDIPFFPN-BEBFMXFYSA-N
• XLogP: 4.69
• TPSA: 101.31 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.46
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	0
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': 'nitro_group', '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)-benzylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one?

The IUPAC name of (2Z,5Z)-2-[(E)-benzylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one (CID 16627475) is (2Z,5Z)-2-[(E)-benzylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one.

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

The canonical SMILES for (2Z,5Z)-2-[(E)-benzylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one is O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)S/C(=N\N=C\c2ccccc2)N1Cc1ccco1.

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

The InChIKey is HDTNWDSDIPFFPN-BEBFMXFYSA-N. The full InChI is InChI=1S/C22H16N4O4S/c27-21-20(13-16-8-10-18(11-9-16)26(28)29)31-22(25(21)15-19-7-4-12-30-19)24-23-14-17-5-2-1-3-6-17/h1-14H,15H2/b20-13-,23-14+,24-22-.

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

(2Z,5Z)-2-[(E)-benzylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 432.46 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z,5Z)-2-[(E)-benzylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 16627475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).