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

C23H25ClN6O2S — CID 131985255

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

5-[4-[(1S)-1-[[5-(2-chloro-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 131985255) has the molecular formula C23H25ClN6O2S and a molecular weight of 485.01 g/mol. Its IUPAC name is 5-[4-[(1S)-1-[[5-(2-chloro-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 5-[4-[(1S)-1-[[5-(2-chloro-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
• PubChem CID: 131985255
• Molecular Formula: C23H25ClN6O2S
• Molecular Weight: 485.01 g/mol
• Exact Mass: 484.14
• IUPAC Name: 5-[4-[(1S)-1-[[5-(2-chloro-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
• SMILES: CC(C)c1noc(N2CCC([C@H](C)Oc3nc4ccc(-c5ccnc(Cl)c5)nc4s3)CC2)n1
• InChI: InChI=1S/C23H25ClN6O2S/c1-13(2)20-28-22(32-29-20)30-10-7-15(8-11-30)14(3)31-23-27-18-5-4-17(26-21(18)33-23)16-6-9-25-19(24)12-16/h4-6,9,12-15H,7-8,10-11H2,1-3H3/t14-/m0/s1
• InChIKey: IEHBIFRTNPAUTC-AWEZNQCLSA-N
• XLogP: 5.60
• TPSA: 90.06 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.01
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 5-[4-[(1S)-1-[[5-(2-chloro-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (CID 131985255) is 5-[4-[(1S)-1-[[5-(2-chloro-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole.

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

The canonical SMILES for 5-[4-[(1S)-1-[[5-(2-chloro-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole is CC(C)c1noc(N2CCC([C@H](C)Oc3nc4ccc(-c5ccnc(Cl)c5)nc4s3)CC2)n1.

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

The InChIKey is IEHBIFRTNPAUTC-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H25ClN6O2S/c1-13(2)20-28-22(32-29-20)30-10-7-15(8-11-30)14(3)31-23-27-18-5-4-17(26-21(18)33-23)16-6-9-25-19(24)12-16/h4-6,9,12-15H,7-8,10-11H2,1-3H3/t14-/m0/s1.

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

5-[4-[(1S)-1-[[5-(2-chloro-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 485.01 g/mol, XLogP of 5.60, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[(1S)-1-[[5-(2-chloro-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 131985255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).