5-[4-[1-[[7-methyl-5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole

C26H31N5O4S2 — CID 131985121

About 5-[4-[1-[[7-methyl-5-(4-methylsulfonylphenyl)-[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-[[7-methyl-5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 131985121) has the molecular formula C26H31N5O4S2 and a molecular weight of 541.70 g/mol. Its IUPAC name is 5-[4-[1-[[7-methyl-5-(4-methylsulfonylphenyl)-[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-[[7-methyl-5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
• PubChem CID: 131985121
• Molecular Formula: C26H31N5O4S2
• Molecular Weight: 541.70 g/mol
• Exact Mass: 541.18
• IUPAC Name: 5-[4-[1-[[7-methyl-5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
• SMILES: Cc1cc(-c2ccc(S(C)(=O)=O)cc2)nc2sc(OC(C)C3CCN(c4nc(C(C)C)no4)CC3)nc12
• InChI: InChI=1S/C26H31N5O4S2/c1-15(2)23-29-25(35-30-23)31-12-10-18(11-13-31)17(4)34-26-28-22-16(3)14-21(27-24(22)36-26)19-6-8-20(9-7-19)37(5,32)33/h6-9,14-15,17-18H,10-13H2,1-5H3
• InChIKey: XZSIAHJHSBFAMU-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 111.31 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	541.70
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-[4-[1-[[7-methyl-5-(4-methylsulfonylphenyl)-[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-[[7-methyl-5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (CID 131985121) is 5-[4-[1-[[7-methyl-5-(4-methylsulfonylphenyl)-[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-[[7-methyl-5-(4-methylsulfonylphenyl)-[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-[[7-methyl-5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole is Cc1cc(-c2ccc(S(C)(=O)=O)cc2)nc2sc(OC(C)C3CCN(c4nc(C(C)C)no4)CC3)nc12.

What is the InChIKey of 5-[4-[1-[[7-methyl-5-(4-methylsulfonylphenyl)-[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 XZSIAHJHSBFAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O4S2/c1-15(2)23-29-25(35-30-23)31-12-10-18(11-13-31)17(4)34-26-28-22-16(3)14-21(27-24(22)36-26)19-6-8-20(9-7-19)37(5,32)33/h6-9,14-15,17-18H,10-13H2,1-5H3.

What are the key properties of 5-[4-[1-[[7-methyl-5-(4-methylsulfonylphenyl)-[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-[[7-methyl-5-(4-methylsulfonylphenyl)-[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 541.70 g/mol, XLogP of 5.26, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[1-[[7-methyl-5-(4-methylsulfonylphenyl)-[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 131985121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).