6-phenyl-5-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole

C30H25F3N8S — CID 67027927

About 6-phenyl-5-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole

6-phenyl-5-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 67027927) has the molecular formula C30H25F3N8S and a molecular weight of 586.65 g/mol. Its IUPAC name is 6-phenyl-5-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

• Compound Name: 6-phenyl-5-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole
• PubChem CID: 67027927
• Molecular Formula: C30H25F3N8S
• Molecular Weight: 586.65 g/mol
• Exact Mass: 586.19
• IUPAC Name: 6-phenyl-5-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole
• SMILES: FC(F)(F)c1nn2c(-c3ccc(CN4CCC(c5nc(-c6ccccn6)n[nH]5)CC4)cc3)c(-c3ccccc3)nc2s1
• InChI: InChI=1S/C30H25F3N8S/c31-30(32,33)28-39-41-25(24(35-29(41)42-28)20-6-2-1-3-7-20)21-11-9-19(10-12-21)18-40-16-13-22(14-17-40)26-36-27(38-37-26)23-8-4-5-15-34-23/h1-12,15,22H,13-14,16-18H2,(H,36,37,38)
• InChIKey: GTBGHKXOKWVFRG-UHFFFAOYSA-N
• XLogP: 6.70
• TPSA: 87.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	586.65
LogP ≤ 5	6.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-5-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole?

The IUPAC name of 6-phenyl-5-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole (CID 67027927) is 6-phenyl-5-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole.

What is the SMILES notation for 6-phenyl-5-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole?

The canonical SMILES for 6-phenyl-5-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole is FC(F)(F)c1nn2c(-c3ccc(CN4CCC(c5nc(-c6ccccn6)n[nH]5)CC4)cc3)c(-c3ccccc3)nc2s1.

What is the InChIKey of 6-phenyl-5-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole?

The InChIKey is GTBGHKXOKWVFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25F3N8S/c31-30(32,33)28-39-41-25(24(35-29(41)42-28)20-6-2-1-3-7-20)21-11-9-19(10-12-21)18-40-16-13-22(14-17-40)26-36-27(38-37-26)23-8-4-5-15-34-23/h1-12,15,22H,13-14,16-18H2,(H,36,37,38).

What are the key properties of 6-phenyl-5-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole?

6-phenyl-5-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 586.65 g/mol, XLogP of 6.70, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-phenyl-5-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 67027927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).