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

C23H24FN5O4S2 — CID 131985170

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

5-[3-fluoro-4-[[5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 131985170) has the molecular formula C23H24FN5O4S2 and a molecular weight of 517.61 g/mol. Its IUPAC name is 5-[3-fluoro-4-[[5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 5-[3-fluoro-4-[[5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
• PubChem CID: 131985170
• Molecular Formula: C23H24FN5O4S2
• Molecular Weight: 517.61 g/mol
• Exact Mass: 517.13
• IUPAC Name: 5-[3-fluoro-4-[[5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
• SMILES: CC(C)c1noc(N2CCC(Oc3nc4ccc(-c5ccc(S(C)(=O)=O)cc5)nc4s3)C(F)C2)n1
• InChI: InChI=1S/C23H24FN5O4S2/c1-13(2)20-27-22(33-28-20)29-11-10-19(16(24)12-29)32-23-26-18-9-8-17(25-21(18)34-23)14-4-6-15(7-5-14)35(3,30)31/h4-9,13,16,19H,10-12H2,1-3H3
• InChIKey: IGRXOXGHJOARDR-UHFFFAOYSA-N
• XLogP: 4.26
• TPSA: 111.31 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.61
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 5-[3-fluoro-4-[[5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (CID 131985170) is 5-[3-fluoro-4-[[5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole.

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

The canonical SMILES for 5-[3-fluoro-4-[[5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole is CC(C)c1noc(N2CCC(Oc3nc4ccc(-c5ccc(S(C)(=O)=O)cc5)nc4s3)C(F)C2)n1.

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

The InChIKey is IGRXOXGHJOARDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O4S2/c1-13(2)20-27-22(33-28-20)29-11-10-19(16(24)12-29)32-23-26-18-9-8-17(25-21(18)34-23)14-4-6-15(7-5-14)35(3,30)31/h4-9,13,16,19H,10-12H2,1-3H3.

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

5-[3-fluoro-4-[[5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 517.61 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-fluoro-4-[[5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 131985170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).