N-[2,5-dimethyl-4-[[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]-1-piperidin-1-ylmethanimine

C24H25F3N4OS — CID 67080826

About N-[2,5-dimethyl-4-[[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]-1-piperidin-1-ylmethanimine

N-[2,5-dimethyl-4-[[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]-1-piperidin-1-ylmethanimine (PubChem CID 67080826) has the molecular formula C24H25F3N4OS and a molecular weight of 474.55 g/mol. Its IUPAC name is N-[2,5-dimethyl-4-[[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]-1-piperidin-1-ylmethanimine.

Molecular Properties

• Compound Name: N-[2,5-dimethyl-4-[[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]-1-piperidin-1-ylmethanimine
• PubChem CID: 67080826
• Molecular Formula: C24H25F3N4OS
• Molecular Weight: 474.55 g/mol
• Exact Mass: 474.17
• IUPAC Name: N-[2,5-dimethyl-4-[[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]-1-piperidin-1-ylmethanimine
• SMILES: Cc1cc(Oc2nc(Cc3cccc(C(F)(F)F)c3)ns2)c(C)cc1/N=C/N1CCCCC1
• InChI: InChI=1S/C24H25F3N4OS/c1-16-12-21(17(2)11-20(16)28-15-31-9-4-3-5-10-31)32-23-29-22(30-33-23)14-18-7-6-8-19(13-18)24(25,26)27/h6-8,11-13,15H,3-5,9-10,14H2,1-2H3/b28-15+
• InChIKey: LUYULDPOWZVFFZ-RWPZCVJISA-N
• XLogP: 6.70
• TPSA: 50.61 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.55
LogP ≤ 5	6.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2,5-dimethyl-4-[[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]-1-piperidin-1-ylmethanimine?

The IUPAC name of N-[2,5-dimethyl-4-[[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]-1-piperidin-1-ylmethanimine (CID 67080826) is N-[2,5-dimethyl-4-[[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]-1-piperidin-1-ylmethanimine.

What is the SMILES notation for N-[2,5-dimethyl-4-[[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]-1-piperidin-1-ylmethanimine?

The canonical SMILES for N-[2,5-dimethyl-4-[[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]-1-piperidin-1-ylmethanimine is Cc1cc(Oc2nc(Cc3cccc(C(F)(F)F)c3)ns2)c(C)cc1/N=C/N1CCCCC1.

What is the InChIKey of N-[2,5-dimethyl-4-[[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]-1-piperidin-1-ylmethanimine?

The InChIKey is LUYULDPOWZVFFZ-RWPZCVJISA-N. The full InChI is InChI=1S/C24H25F3N4OS/c1-16-12-21(17(2)11-20(16)28-15-31-9-4-3-5-10-31)32-23-29-22(30-33-23)14-18-7-6-8-19(13-18)24(25,26)27/h6-8,11-13,15H,3-5,9-10,14H2,1-2H3/b28-15+.

What are the key properties of N-[2,5-dimethyl-4-[[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]-1-piperidin-1-ylmethanimine?

N-[2,5-dimethyl-4-[[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]-1-piperidin-1-ylmethanimine has a molecular weight of 474.55 g/mol, XLogP of 6.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2,5-dimethyl-4-[[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]-1-piperidin-1-ylmethanimine is sourced from PubChem (CID 67080826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).