(2E)-2-[(E)-[5-(2-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazolidin-4-one

C21H14Cl3N3O2S — CID 135711989

About (2E)-2-[(E)-[5-(2-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazolidin-4-one

(2E)-2-[(E)-[5-(2-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazolidin-4-one (PubChem CID 135711989) has the molecular formula C21H14Cl3N3O2S and a molecular weight of 478.79 g/mol. Its IUPAC name is (2E)-2-[(E)-[5-(2-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (2E)-2-[(E)-[5-(2-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazolidin-4-one
• PubChem CID: 135711989
• Molecular Formula: C21H14Cl3N3O2S
• Molecular Weight: 478.79 g/mol
• Exact Mass: 476.99
• IUPAC Name: (2E)-2-[(E)-[5-(2-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazolidin-4-one
• SMILES: O=C1N/C(=N\N=C\c2ccc(-c3ccccc3Cl)o2)SC1Cc1cc(Cl)ccc1Cl
• InChI: InChI=1S/C21H14Cl3N3O2S/c22-13-5-7-16(23)12(9-13)10-19-20(28)26-21(30-19)27-25-11-14-6-8-18(29-14)15-3-1-2-4-17(15)24/h1-9,11,19H,10H2,(H,26,27,28)/b25-11+
• InChIKey: UJZCGTMGBUOTRB-OPEKNORGSA-N
• XLogP: 6.07
• TPSA: 66.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.79
LogP ≤ 5	6.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

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 (2E)-2-[(E)-[5-(2-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazolidin-4-one?

The IUPAC name of (2E)-2-[(E)-[5-(2-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazolidin-4-one (CID 135711989) is (2E)-2-[(E)-[5-(2-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazolidin-4-one.

What is the SMILES notation for (2E)-2-[(E)-[5-(2-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazolidin-4-one?

The canonical SMILES for (2E)-2-[(E)-[5-(2-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazolidin-4-one is O=C1N/C(=N\N=C\c2ccc(-c3ccccc3Cl)o2)SC1Cc1cc(Cl)ccc1Cl.

What is the InChIKey of (2E)-2-[(E)-[5-(2-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazolidin-4-one?

The InChIKey is UJZCGTMGBUOTRB-OPEKNORGSA-N. The full InChI is InChI=1S/C21H14Cl3N3O2S/c22-13-5-7-16(23)12(9-13)10-19-20(28)26-21(30-19)27-25-11-14-6-8-18(29-14)15-3-1-2-4-17(15)24/h1-9,11,19H,10H2,(H,26,27,28)/b25-11+.

What are the key properties of (2E)-2-[(E)-[5-(2-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazolidin-4-one?

(2E)-2-[(E)-[5-(2-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 478.79 g/mol, XLogP of 6.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2E)-2-[(E)-[5-(2-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135711989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).