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

C23H27N7O2S2 — CID 131985231

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

5-[4-[1-[[5-(5-methylsulfanylpyrazin-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 131985231) has the molecular formula C23H27N7O2S2 and a molecular weight of 497.65 g/mol. Its IUPAC name is 5-[4-[1-[[5-(5-methylsulfanylpyrazin-2-yl)-[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-[1-[[5-(5-methylsulfanylpyrazin-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
• PubChem CID: 131985231
• Molecular Formula: C23H27N7O2S2
• Molecular Weight: 497.65 g/mol
• Exact Mass: 497.17
• IUPAC Name: 5-[4-[1-[[5-(5-methylsulfanylpyrazin-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
• SMILES: CSc1cnc(-c2ccc3nc(OC(C)C4CCN(c5nc(C(C)C)no5)CC4)sc3n2)cn1
• InChI: InChI=1S/C23H27N7O2S2/c1-13(2)20-28-22(32-29-20)30-9-7-15(8-10-30)14(3)31-23-27-17-6-5-16(26-21(17)34-23)18-11-25-19(33-4)12-24-18/h5-6,11-15H,7-10H2,1-4H3
• InChIKey: BRGXHKJZLBJJEJ-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 102.95 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	497.65
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 5-[4-[1-[[5-(5-methylsulfanylpyrazin-2-yl)-[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-[1-[[5-(5-methylsulfanylpyrazin-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (CID 131985231) is 5-[4-[1-[[5-(5-methylsulfanylpyrazin-2-yl)-[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-[1-[[5-(5-methylsulfanylpyrazin-2-yl)-[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-[1-[[5-(5-methylsulfanylpyrazin-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole is CSc1cnc(-c2ccc3nc(OC(C)C4CCN(c5nc(C(C)C)no5)CC4)sc3n2)cn1.

What is the InChIKey of 5-[4-[1-[[5-(5-methylsulfanylpyrazin-2-yl)-[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 BRGXHKJZLBJJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O2S2/c1-13(2)20-28-22(32-29-20)30-9-7-15(8-10-30)14(3)31-23-27-17-6-5-16(26-21(17)34-23)18-11-25-19(33-4)12-24-18/h5-6,11-15H,7-10H2,1-4H3.

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

5-[4-[1-[[5-(5-methylsulfanylpyrazin-2-yl)-[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 497.65 g/mol, XLogP of 5.06, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[1-[[5-(5-methylsulfanylpyrazin-2-yl)-[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 131985231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).