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

C26H30N6O2S2 — CID 131985295

About 5-[4-[(1S)-1-[[5-(6-cyclopropylsulfanyl-3-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-(6-cyclopropylsulfanyl-3-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 131985295) has the molecular formula C26H30N6O2S2 and a molecular weight of 522.70 g/mol. Its IUPAC name is 5-[4-[(1S)-1-[[5-(6-cyclopropylsulfanyl-3-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-(6-cyclopropylsulfanyl-3-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: 131985295
• Molecular Formula: C26H30N6O2S2
• Molecular Weight: 522.70 g/mol
• Exact Mass: 522.19
• IUPAC Name: 5-[4-[(1S)-1-[[5-(6-cyclopropylsulfanyl-3-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(-c5ccc(SC6CC6)nc5)nc4s3)CC2)n1
• InChI: InChI=1S/C26H30N6O2S2/c1-15(2)23-30-25(34-31-23)32-12-10-17(11-13-32)16(3)33-26-29-21-8-7-20(28-24(21)36-26)18-4-9-22(27-14-18)35-19-5-6-19/h4,7-9,14-17,19H,5-6,10-13H2,1-3H3/t16-/m0/s1
• InChIKey: COZYMWYOJXTJRJ-INIZCTEOSA-N
• XLogP: 6.20
• TPSA: 90.06 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.70
LogP ≤ 5	6.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(1S)-1-[[5-(6-cyclopropylsulfanyl-3-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-(6-cyclopropylsulfanyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (CID 131985295) is 5-[4-[(1S)-1-[[5-(6-cyclopropylsulfanyl-3-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-(6-cyclopropylsulfanyl-3-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-(6-cyclopropylsulfanyl-3-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(-c5ccc(SC6CC6)nc5)nc4s3)CC2)n1.

What is the InChIKey of 5-[4-[(1S)-1-[[5-(6-cyclopropylsulfanyl-3-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 COZYMWYOJXTJRJ-INIZCTEOSA-N. The full InChI is InChI=1S/C26H30N6O2S2/c1-15(2)23-30-25(34-31-23)32-12-10-17(11-13-32)16(3)33-26-29-21-8-7-20(28-24(21)36-26)18-4-9-22(27-14-18)35-19-5-6-19/h4,7-9,14-17,19H,5-6,10-13H2,1-3H3/t16-/m0/s1.

What are the key properties of 5-[4-[(1S)-1-[[5-(6-cyclopropylsulfanyl-3-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-(6-cyclopropylsulfanyl-3-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 522.70 g/mol, XLogP of 6.20, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[(1S)-1-[[5-(6-cyclopropylsulfanyl-3-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 131985295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).