3-propan-2-yl-5-[4-[1-[[5-[6-(trifluoromethyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole

C24H25F3N6O2S — CID 131985337

About 3-propan-2-yl-5-[4-[1-[[5-[6-(trifluoromethyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole

3-propan-2-yl-5-[4-[1-[[5-[6-(trifluoromethyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole (PubChem CID 131985337) has the molecular formula C24H25F3N6O2S and a molecular weight of 518.57 g/mol. Its IUPAC name is 3-propan-2-yl-5-[4-[1-[[5-[6-(trifluoromethyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 3-propan-2-yl-5-[4-[1-[[5-[6-(trifluoromethyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole
• PubChem CID: 131985337
• Molecular Formula: C24H25F3N6O2S
• Molecular Weight: 518.57 g/mol
• Exact Mass: 518.17
• IUPAC Name: 3-propan-2-yl-5-[4-[1-[[5-[6-(trifluoromethyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole
• SMILES: CC(C)c1noc(N2CCC(C(C)Oc3nc4ccc(-c5ccc(C(F)(F)F)nc5)nc4s3)CC2)n1
• InChI: InChI=1S/C24H25F3N6O2S/c1-13(2)20-31-22(35-32-20)33-10-8-15(9-11-33)14(3)34-23-30-18-6-5-17(29-21(18)36-23)16-4-7-19(28-12-16)24(25,26)27/h4-7,12-15H,8-11H2,1-3H3
• InChIKey: ZBVOQPIJRHFDKA-UHFFFAOYSA-N
• XLogP: 5.96
• TPSA: 90.06 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	518.57
LogP ≤ 5	5.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5-[4-[1-[[5-[6-(trifluoromethyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole?

The IUPAC name of 3-propan-2-yl-5-[4-[1-[[5-[6-(trifluoromethyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole (CID 131985337) is 3-propan-2-yl-5-[4-[1-[[5-[6-(trifluoromethyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole.

What is the SMILES notation for 3-propan-2-yl-5-[4-[1-[[5-[6-(trifluoromethyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole?

The canonical SMILES for 3-propan-2-yl-5-[4-[1-[[5-[6-(trifluoromethyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole is CC(C)c1noc(N2CCC(C(C)Oc3nc4ccc(-c5ccc(C(F)(F)F)nc5)nc4s3)CC2)n1.

What is the InChIKey of 3-propan-2-yl-5-[4-[1-[[5-[6-(trifluoromethyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole?

The InChIKey is ZBVOQPIJRHFDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N6O2S/c1-13(2)20-31-22(35-32-20)33-10-8-15(9-11-33)14(3)34-23-30-18-6-5-17(29-21(18)36-23)16-4-7-19(28-12-16)24(25,26)27/h4-7,12-15H,8-11H2,1-3H3.

What are the key properties of 3-propan-2-yl-5-[4-[1-[[5-[6-(trifluoromethyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole?

3-propan-2-yl-5-[4-[1-[[5-[6-(trifluoromethyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole has a molecular weight of 518.57 g/mol, XLogP of 5.96, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-propan-2-yl-5-[4-[1-[[5-[6-(trifluoromethyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 131985337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).