3-cyclopropyl-5-[4-[1-[[5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole

C25H27N5O4S2 — CID 131985230

About 3-cyclopropyl-5-[4-[1-[[5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole

3-cyclopropyl-5-[4-[1-[[5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole (PubChem CID 131985230) has the molecular formula C25H27N5O4S2 and a molecular weight of 525.66 g/mol. Its IUPAC name is 3-cyclopropyl-5-[4-[1-[[5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 3-cyclopropyl-5-[4-[1-[[5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole
• PubChem CID: 131985230
• Molecular Formula: C25H27N5O4S2
• Molecular Weight: 525.66 g/mol
• Exact Mass: 525.15
• IUPAC Name: 3-cyclopropyl-5-[4-[1-[[5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole
• SMILES: CC(Oc1nc2ccc(-c3ccc(S(C)(=O)=O)cc3)nc2s1)C1CCN(c2nc(C3CC3)no2)CC1
• InChI: InChI=1S/C25H27N5O4S2/c1-15(16-11-13-30(14-12-16)24-28-22(29-34-24)18-3-4-18)33-25-27-21-10-9-20(26-23(21)35-25)17-5-7-19(8-6-17)36(2,31)32/h5-10,15-16,18H,3-4,11-14H2,1-2H3
• InChIKey: JLAPWKJXZONNQG-UHFFFAOYSA-N
• XLogP: 4.71
• TPSA: 111.31 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.66
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 3-cyclopropyl-5-[4-[1-[[5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole (CID 131985230) is 3-cyclopropyl-5-[4-[1-[[5-(4-methylsulfonylphenyl)-[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-cyclopropyl-5-[4-[1-[[5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole?

The canonical SMILES for 3-cyclopropyl-5-[4-[1-[[5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole is CC(Oc1nc2ccc(-c3ccc(S(C)(=O)=O)cc3)nc2s1)C1CCN(c2nc(C3CC3)no2)CC1.

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

The InChIKey is JLAPWKJXZONNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O4S2/c1-15(16-11-13-30(14-12-16)24-28-22(29-34-24)18-3-4-18)33-25-27-21-10-9-20(26-23(21)35-25)17-5-7-19(8-6-17)36(2,31)32/h5-10,15-16,18H,3-4,11-14H2,1-2H3.

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

3-cyclopropyl-5-[4-[1-[[5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole has a molecular weight of 525.66 g/mol, XLogP of 4.71, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopropyl-5-[4-[1-[[5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 131985230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).