1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide

C24H25F3N4O2S — CID 3666556

About 1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide

1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 3666556) has the molecular formula C24H25F3N4O2S and a molecular weight of 490.55 g/mol. Its IUPAC name is 1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
• PubChem CID: 3666556
• Molecular Formula: C24H25F3N4O2S
• Molecular Weight: 490.55 g/mol
• Exact Mass: 490.17
• IUPAC Name: 1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
• SMILES: COc1cccc(Cc2nsc(N3CCCC(C(=O)NCc4cccc(C(F)(F)F)c4)C3)n2)c1
• InChI: InChI=1S/C24H25F3N4O2S/c1-33-20-9-3-5-16(12-20)13-21-29-23(34-30-21)31-10-4-7-18(15-31)22(32)28-14-17-6-2-8-19(11-17)24(25,26)27/h2-3,5-6,8-9,11-12,18H,4,7,10,13-15H2,1H3,(H,28,32)
• InChIKey: BTBBRSRWXJIVOR-UHFFFAOYSA-N
• XLogP: 4.69
• TPSA: 67.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.55
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?

The IUPAC name of 1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (CID 3666556) is 1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.

What is the SMILES notation for 1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?

The canonical SMILES for 1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is COc1cccc(Cc2nsc(N3CCCC(C(=O)NCc4cccc(C(F)(F)F)c4)C3)n2)c1.

What is the InChIKey of 1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?

The InChIKey is BTBBRSRWXJIVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O2S/c1-33-20-9-3-5-16(12-20)13-21-29-23(34-30-21)31-10-4-7-18(15-31)22(32)28-14-17-6-2-8-19(11-17)24(25,26)27/h2-3,5-6,8-9,11-12,18H,4,7,10,13-15H2,1H3,(H,28,32).

What are the key properties of 1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?

1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 490.55 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 3666556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).