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

C20H14N4O4S2 — CID 16627903

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

(2Z,5Z)-3-(furan-2-ylmethyl)-5-[(4-nitrophenyl)methylidene]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 16627903) has the molecular formula C20H14N4O4S2 and a molecular weight of 438.49 g/mol. Its IUPAC name is (2Z,5Z)-3-(furan-2-ylmethyl)-5-[(4-nitrophenyl)methylidene]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (2Z,5Z)-3-(furan-2-ylmethyl)-5-[(4-nitrophenyl)methylidene]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
• PubChem CID: 16627903
• Molecular Formula: C20H14N4O4S2
• Molecular Weight: 438.49 g/mol
• Exact Mass: 438.05
• IUPAC Name: (2Z,5Z)-3-(furan-2-ylmethyl)-5-[(4-nitrophenyl)methylidene]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
• SMILES: O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)S/C(=N\N=C\c2cccs2)N1Cc1ccco1
• InChI: InChI=1S/C20H14N4O4S2/c25-19-18(11-14-5-7-15(8-6-14)24(26)27)30-20(22-21-12-17-4-2-10-29-17)23(19)13-16-3-1-9-28-16/h1-12H,13H2/b18-11-,21-12+,22-20-
• InChIKey: BONCIBYGNYEWES-GZFVJNORSA-N
• XLogP: 4.76
• TPSA: 101.31 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.49
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

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)-3-(furan-2-ylmethyl)-5-[(4-nitrophenyl)methylidene]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?

The IUPAC name of (2Z,5Z)-3-(furan-2-ylmethyl)-5-[(4-nitrophenyl)methylidene]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 16627903) is (2Z,5Z)-3-(furan-2-ylmethyl)-5-[(4-nitrophenyl)methylidene]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.

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

The canonical SMILES for (2Z,5Z)-3-(furan-2-ylmethyl)-5-[(4-nitrophenyl)methylidene]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)S/C(=N\N=C\c2cccs2)N1Cc1ccco1.

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

The InChIKey is BONCIBYGNYEWES-GZFVJNORSA-N. The full InChI is InChI=1S/C20H14N4O4S2/c25-19-18(11-14-5-7-15(8-6-14)24(26)27)30-20(22-21-12-17-4-2-10-29-17)23(19)13-16-3-1-9-28-16/h1-12H,13H2/b18-11-,21-12+,22-20-.

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

(2Z,5Z)-3-(furan-2-ylmethyl)-5-[(4-nitrophenyl)methylidene]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 438.49 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z,5Z)-3-(furan-2-ylmethyl)-5-[(4-nitrophenyl)methylidene]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 16627903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).