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

C28H22Cl2N4O4S — CID 18836472

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

2-[(2Z)-2-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide (PubChem CID 18836472) has the molecular formula C28H22Cl2N4O4S and a molecular weight of 581.48 g/mol. Its IUPAC name is 2-[(2Z)-2-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[(2Z)-2-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
• PubChem CID: 18836472
• Molecular Formula: C28H22Cl2N4O4S
• Molecular Weight: 581.48 g/mol
• Exact Mass: 580.07
• IUPAC Name: 2-[(2Z)-2-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
• SMILES: Cc1ccc(NC(=O)CC2S/C(=N\N=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)N(Cc3ccco3)C2=O)cc1
• InChI: InChI=1S/C28H22Cl2N4O4S/c1-17-4-7-19(8-5-17)32-26(35)14-25-27(36)34(16-21-3-2-12-37-21)28(39-25)33-31-15-20-9-11-24(38-20)18-6-10-22(29)23(30)13-18/h2-13,15,25H,14,16H2,1H3,(H,32,35)/b31-15+,33-28-
• InChIKey: BPJWUWOTDZGBAZ-ZRKJDBAVSA-N
• XLogP: 7.02
• TPSA: 100.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	581.48
LogP ≤ 5	7.02
H-Bond Donors ≤ 5	1
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-[(2Z)-2-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide?

The IUPAC name of 2-[(2Z)-2-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide (CID 18836472) is 2-[(2Z)-2-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide.

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

The canonical SMILES for 2-[(2Z)-2-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CC2S/C(=N\N=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)N(Cc3ccco3)C2=O)cc1.

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

The InChIKey is BPJWUWOTDZGBAZ-ZRKJDBAVSA-N. The full InChI is InChI=1S/C28H22Cl2N4O4S/c1-17-4-7-19(8-5-17)32-26(35)14-25-27(36)34(16-21-3-2-12-37-21)28(39-25)33-31-15-20-9-11-24(38-20)18-6-10-22(29)23(30)13-18/h2-13,15,25H,14,16H2,1H3,(H,32,35)/b31-15+,33-28-.

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

2-[(2Z)-2-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 581.48 g/mol, XLogP of 7.02, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2Z)-2-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 18836472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).