(5Z)-2-(4-chlorophenyl)imino-3-propyl-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one

C24H18ClF3N2O2S — CID 126092789

About (5Z)-2-(4-chlorophenyl)imino-3-propyl-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one

(5Z)-2-(4-chlorophenyl)imino-3-propyl-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one (PubChem CID 126092789) has the molecular formula C24H18ClF3N2O2S and a molecular weight of 490.93 g/mol. Its IUPAC name is (5Z)-2-(4-chlorophenyl)imino-3-propyl-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5Z)-2-(4-chlorophenyl)imino-3-propyl-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one
• PubChem CID: 126092789
• Molecular Formula: C24H18ClF3N2O2S
• Molecular Weight: 490.93 g/mol
• Exact Mass: 490.07
• IUPAC Name: (5Z)-2-(4-chlorophenyl)imino-3-propyl-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one
• SMILES: CCCN1C(=O)/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)S/C1=N/c1ccc(Cl)cc1
• InChI: InChI=1S/C24H18ClF3N2O2S/c1-2-12-30-22(31)21(33-23(30)29-18-8-6-17(25)7-9-18)14-19-10-11-20(32-19)15-4-3-5-16(13-15)24(26,27)28/h3-11,13-14H,2,12H2,1H3/b21-14-,29-23+
• InChIKey: DRWNPUYXZJPLRK-AGPVAQGYSA-N
• XLogP: 7.63
• TPSA: 45.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.93
LogP ≤ 5	7.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(4-chlorophenyl)imino-3-propyl-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one?

The IUPAC name of (5Z)-2-(4-chlorophenyl)imino-3-propyl-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one (CID 126092789) is (5Z)-2-(4-chlorophenyl)imino-3-propyl-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one.

What is the SMILES notation for (5Z)-2-(4-chlorophenyl)imino-3-propyl-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one?

The canonical SMILES for (5Z)-2-(4-chlorophenyl)imino-3-propyl-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one is CCCN1C(=O)/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)S/C1=N/c1ccc(Cl)cc1.

What is the InChIKey of (5Z)-2-(4-chlorophenyl)imino-3-propyl-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one?

The InChIKey is DRWNPUYXZJPLRK-AGPVAQGYSA-N. The full InChI is InChI=1S/C24H18ClF3N2O2S/c1-2-12-30-22(31)21(33-23(30)29-18-8-6-17(25)7-9-18)14-19-10-11-20(32-19)15-4-3-5-16(13-15)24(26,27)28/h3-11,13-14H,2,12H2,1H3/b21-14-,29-23+.

What are the key properties of (5Z)-2-(4-chlorophenyl)imino-3-propyl-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one?

(5Z)-2-(4-chlorophenyl)imino-3-propyl-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one has a molecular weight of 490.93 g/mol, XLogP of 7.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-2-(4-chlorophenyl)imino-3-propyl-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 126092789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).