(2E)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinylidene]-1,3-thiazolidin-4-one

C24H23Cl2N3O2S — CID 135870911

About (2E)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinylidene]-1,3-thiazolidin-4-one

(2E)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135870911) has the molecular formula C24H23Cl2N3O2S and a molecular weight of 488.44 g/mol. Its IUPAC name is (2E)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (2E)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinylidene]-1,3-thiazolidin-4-one
• PubChem CID: 135870911
• Molecular Formula: C24H23Cl2N3O2S
• Molecular Weight: 488.44 g/mol
• Exact Mass: 487.09
• IUPAC Name: (2E)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinylidene]-1,3-thiazolidin-4-one
• SMILES: CC12CCC(CC1=N/N=C1\NC(=O)C(=Cc3ccc(-c4c(Cl)cccc4Cl)o3)S1)C2(C)C
• InChI: InChI=1S/C24H23Cl2N3O2S/c1-23(2)13-9-10-24(23,3)19(11-13)28-29-22-27-21(30)18(32-22)12-14-7-8-17(31-14)20-15(25)5-4-6-16(20)26/h4-8,12-13H,9-11H2,1-3H3,(H,27,29,30)
• InChIKey: MZIKMNHMDQHOIW-UHFFFAOYSA-N
• XLogP: 7.02
• TPSA: 66.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.44
LogP ≤ 5	7.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2E)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinylidene]-1,3-thiazolidin-4-one?

The IUPAC name of (2E)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinylidene]-1,3-thiazolidin-4-one (CID 135870911) is (2E)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinylidene]-1,3-thiazolidin-4-one.

What is the SMILES notation for (2E)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinylidene]-1,3-thiazolidin-4-one?

The canonical SMILES for (2E)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinylidene]-1,3-thiazolidin-4-one is CC12CCC(CC1=N/N=C1\NC(=O)C(=Cc3ccc(-c4c(Cl)cccc4Cl)o3)S1)C2(C)C.

What is the InChIKey of (2E)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinylidene]-1,3-thiazolidin-4-one?

The InChIKey is MZIKMNHMDQHOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2N3O2S/c1-23(2)13-9-10-24(23,3)19(11-13)28-29-22-27-21(30)18(32-22)12-14-7-8-17(31-14)20-15(25)5-4-6-16(20)26/h4-8,12-13H,9-11H2,1-3H3,(H,27,29,30).

What are the key properties of (2E)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinylidene]-1,3-thiazolidin-4-one?

(2E)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 488.44 g/mol, XLogP of 7.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2E)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135870911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).