2-[(2E)-2-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide

C23H18Cl2N4O4S — CID 135711880

About 2-[(2E)-2-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide

2-[(2E)-2-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 135711880) has the molecular formula C23H18Cl2N4O4S and a molecular weight of 517.39 g/mol. Its IUPAC name is 2-[(2E)-2-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[(2E)-2-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
• PubChem CID: 135711880
• Molecular Formula: C23H18Cl2N4O4S
• Molecular Weight: 517.39 g/mol
• Exact Mass: 516.04
• IUPAC Name: 2-[(2E)-2-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
• SMILES: COc1ccc(NC(=O)CC2S/C(=N/N=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)NC2=O)cc1
• InChI: InChI=1S/C23H18Cl2N4O4S/c1-32-15-5-3-14(4-6-15)27-21(30)11-20-22(31)28-23(34-20)29-26-12-16-7-9-19(33-16)17-10-13(24)2-8-18(17)25/h2-10,12,20H,11H2,1H3,(H,27,30)(H,28,29,31)/b26-12+
• InChIKey: IZGIMNMJYPDOBY-RPPGKUMJSA-N
• XLogP: 5.21
• TPSA: 105.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	517.39
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide?

The IUPAC name of 2-[(2E)-2-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide (CID 135711880) is 2-[(2E)-2-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide.

What is the SMILES notation for 2-[(2E)-2-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide?

The canonical SMILES for 2-[(2E)-2-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CC2S/C(=N/N=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)NC2=O)cc1.

What is the InChIKey of 2-[(2E)-2-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide?

The InChIKey is IZGIMNMJYPDOBY-RPPGKUMJSA-N. The full InChI is InChI=1S/C23H18Cl2N4O4S/c1-32-15-5-3-14(4-6-15)27-21(30)11-20-22(31)28-23(34-20)29-26-12-16-7-9-19(33-16)17-10-13(24)2-8-18(17)25/h2-10,12,20H,11H2,1H3,(H,27,30)(H,28,29,31)/b26-12+.

What are the key properties of 2-[(2E)-2-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide?

2-[(2E)-2-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 517.39 g/mol, XLogP of 5.21, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2E)-2-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 135711880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).