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

C24H19ClF3N3O3S — CID 135712201

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

(2E)-2-[(E)-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidenehydrazinylidene]-5-[(4-ethoxyphenyl)methyl]-1,3-thiazolidin-4-one (PubChem CID 135712201) has the molecular formula C24H19ClF3N3O3S and a molecular weight of 521.95 g/mol. Its IUPAC name is (2E)-2-[(E)-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidenehydrazinylidene]-5-[(4-ethoxyphenyl)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-ethoxyphenyl)methyl]-1,3-thiazolidin-4-one
• PubChem CID: 135712201
• Molecular Formula: C24H19ClF3N3O3S
• Molecular Weight: 521.95 g/mol
• Exact Mass: 521.08
• IUPAC Name: (2E)-2-[(E)-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidenehydrazinylidene]-5-[(4-ethoxyphenyl)methyl]-1,3-thiazolidin-4-one
• SMILES: CCOc1ccc(CC2S/C(=N/N=C/c3ccc(-c4cc(C(F)(F)F)ccc4Cl)o3)NC2=O)cc1
• InChI: InChI=1S/C24H19ClF3N3O3S/c1-2-33-16-6-3-14(4-7-16)11-21-22(32)30-23(35-21)31-29-13-17-8-10-20(34-17)18-12-15(24(26,27)28)5-9-19(18)25/h3-10,12-13,21H,2,11H2,1H3,(H,30,31,32)/b29-13+
• InChIKey: RLFVXCNCGRQJFM-VFLNYLIXSA-N
• XLogP: 6.18
• TPSA: 76.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	521.95
LogP ≤ 5	6.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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-ethoxyphenyl)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-ethoxyphenyl)methyl]-1,3-thiazolidin-4-one (CID 135712201) is (2E)-2-[(E)-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidenehydrazinylidene]-5-[(4-ethoxyphenyl)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-ethoxyphenyl)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-ethoxyphenyl)methyl]-1,3-thiazolidin-4-one is CCOc1ccc(CC2S/C(=N/N=C/c3ccc(-c4cc(C(F)(F)F)ccc4Cl)o3)NC2=O)cc1.

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

The InChIKey is RLFVXCNCGRQJFM-VFLNYLIXSA-N. The full InChI is InChI=1S/C24H19ClF3N3O3S/c1-2-33-16-6-3-14(4-7-16)11-21-22(32)30-23(35-21)31-29-13-17-8-10-20(34-17)18-12-15(24(26,27)28)5-9-19(18)25/h3-10,12-13,21H,2,11H2,1H3,(H,30,31,32)/b29-13+.

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

(2E)-2-[(E)-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidenehydrazinylidene]-5-[(4-ethoxyphenyl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 521.95 g/mol, XLogP of 6.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 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-ethoxyphenyl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135712201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).