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

C22H14Cl2F3N3O2S — CID 135712029

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

(2E)-5-[(4-chlorophenyl)methyl]-2-[(E)-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135712029) has the molecular formula C22H14Cl2F3N3O2S and a molecular weight of 512.34 g/mol. Its IUPAC name is (2E)-5-[(4-chlorophenyl)methyl]-2-[(E)-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (2E)-5-[(4-chlorophenyl)methyl]-2-[(E)-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
• PubChem CID: 135712029
• Molecular Formula: C22H14Cl2F3N3O2S
• Molecular Weight: 512.34 g/mol
• Exact Mass: 511.01
• IUPAC Name: (2E)-5-[(4-chlorophenyl)methyl]-2-[(E)-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
• SMILES: O=C1N/C(=N\N=C\c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)SC1Cc1ccc(Cl)cc1
• InChI: InChI=1S/C22H14Cl2F3N3O2S/c23-14-4-1-12(2-5-14)9-19-20(31)29-21(33-19)30-28-11-15-6-8-18(32-15)16-10-13(22(25,26)27)3-7-17(16)24/h1-8,10-11,19H,9H2,(H,29,30,31)/b28-11+
• InChIKey: BIHNXKSKKMUBEK-IPBVOBEMSA-N
• XLogP: 6.44
• TPSA: 66.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	512.34
LogP ≤ 5	6.44
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)-5-[(4-chlorophenyl)methyl]-2-[(E)-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?

The IUPAC name of (2E)-5-[(4-chlorophenyl)methyl]-2-[(E)-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135712029) is (2E)-5-[(4-chlorophenyl)methyl]-2-[(E)-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

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

The canonical SMILES for (2E)-5-[(4-chlorophenyl)methyl]-2-[(E)-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1N/C(=N\N=C\c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)SC1Cc1ccc(Cl)cc1.

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

The InChIKey is BIHNXKSKKMUBEK-IPBVOBEMSA-N. The full InChI is InChI=1S/C22H14Cl2F3N3O2S/c23-14-4-1-12(2-5-14)9-19-20(31)29-21(33-19)30-28-11-15-6-8-18(32-15)16-10-13(22(25,26)27)3-7-17(16)24/h1-8,10-11,19H,9H2,(H,29,30,31)/b28-11+.

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

(2E)-5-[(4-chlorophenyl)methyl]-2-[(E)-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 512.34 g/mol, XLogP of 6.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2E)-5-[(4-chlorophenyl)methyl]-2-[(E)-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135712029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).