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

C23H13Cl2F6N3O2S — CID 135712261

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

(2E)-2-[(E)-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidenehydrazinylidene]-5-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one (PubChem CID 135712261) has the molecular formula C23H13Cl2F6N3O2S and a molecular weight of 580.34 g/mol. Its IUPAC name is (2E)-2-[(E)-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidenehydrazinylidene]-5-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (2E)-2-[(E)-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidenehydrazinylidene]-5-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
• PubChem CID: 135712261
• Molecular Formula: C23H13Cl2F6N3O2S
• Molecular Weight: 580.34 g/mol
• Exact Mass: 579.00
• IUPAC Name: (2E)-2-[(E)-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidenehydrazinylidene]-5-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
• SMILES: O=C1N/C(=N\N=C\c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)SC1Cc1ccc(Cl)c(C(F)(F)F)c1
• InChI: InChI=1S/C23H13Cl2F6N3O2S/c24-16-5-2-12(22(26,27)28)9-14(16)18-6-3-13(36-18)10-32-34-21-33-20(35)19(37-21)8-11-1-4-17(25)15(7-11)23(29,30)31/h1-7,9-10,19H,8H2,(H,33,34,35)/b32-10+
• InChIKey: SPXJQADDVQJQMU-INRUPRTJSA-N
• XLogP: 7.46
• TPSA: 66.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	580.34
LogP ≤ 5	7.46
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-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidenehydrazinylidene]-5-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one?

The IUPAC name of (2E)-2-[(E)-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidenehydrazinylidene]-5-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one (CID 135712261) is (2E)-2-[(E)-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidenehydrazinylidene]-5-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one.

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

The canonical SMILES for (2E)-2-[(E)-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidenehydrazinylidene]-5-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one is O=C1N/C(=N\N=C\c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)SC1Cc1ccc(Cl)c(C(F)(F)F)c1.

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

The InChIKey is SPXJQADDVQJQMU-INRUPRTJSA-N. The full InChI is InChI=1S/C23H13Cl2F6N3O2S/c24-16-5-2-12(22(26,27)28)9-14(16)18-6-3-13(36-18)10-32-34-21-33-20(35)19(37-21)8-11-1-4-17(25)15(7-11)23(29,30)31/h1-7,9-10,19H,8H2,(H,33,34,35)/b32-10+.

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

(2E)-2-[(E)-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidenehydrazinylidene]-5-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one has a molecular weight of 580.34 g/mol, XLogP of 7.46, 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-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidenehydrazinylidene]-5-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135712261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).