5-[4-[1-[5-fluoro-6-(4-methylsulfonylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole

C23H27FN6O4S2 — CID 131984620

About 5-[4-[1-[5-fluoro-6-(4-methylsulfonylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole

5-[4-[1-[5-fluoro-6-(4-methylsulfonylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 131984620) has the molecular formula C23H27FN6O4S2 and a molecular weight of 534.64 g/mol. Its IUPAC name is 5-[4-[1-[5-fluoro-6-(4-methylsulfonylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 5-[4-[1-[5-fluoro-6-(4-methylsulfonylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
• PubChem CID: 131984620
• Molecular Formula: C23H27FN6O4S2
• Molecular Weight: 534.64 g/mol
• Exact Mass: 534.15
• IUPAC Name: 5-[4-[1-[5-fluoro-6-(4-methylsulfonylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
• SMILES: CC(C)c1noc(N2CCC(C(C)Oc3nn4c(F)c(-c5ccc(S(C)(=O)=O)cc5)nc4s3)CC2)n1
• InChI: InChI=1S/C23H27FN6O4S2/c1-13(2)20-26-21(34-28-20)29-11-9-15(10-12-29)14(3)33-23-27-30-19(24)18(25-22(30)35-23)16-5-7-17(8-6-16)36(4,31)32/h5-8,13-15H,9-12H2,1-4H3
• InChIKey: SNYBLIQPMLWOPJ-UHFFFAOYSA-N
• XLogP: 4.19
• TPSA: 115.72 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.64
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 5-[4-[1-[5-fluoro-6-(4-methylsulfonylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?

The IUPAC name of 5-[4-[1-[5-fluoro-6-(4-methylsulfonylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (CID 131984620) is 5-[4-[1-[5-fluoro-6-(4-methylsulfonylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole.

What is the SMILES notation for 5-[4-[1-[5-fluoro-6-(4-methylsulfonylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?

The canonical SMILES for 5-[4-[1-[5-fluoro-6-(4-methylsulfonylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole is CC(C)c1noc(N2CCC(C(C)Oc3nn4c(F)c(-c5ccc(S(C)(=O)=O)cc5)nc4s3)CC2)n1.

What is the InChIKey of 5-[4-[1-[5-fluoro-6-(4-methylsulfonylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?

The InChIKey is SNYBLIQPMLWOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN6O4S2/c1-13(2)20-26-21(34-28-20)29-11-9-15(10-12-29)14(3)33-23-27-30-19(24)18(25-22(30)35-23)16-5-7-17(8-6-16)36(4,31)32/h5-8,13-15H,9-12H2,1-4H3.

What are the key properties of 5-[4-[1-[5-fluoro-6-(4-methylsulfonylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?

5-[4-[1-[5-fluoro-6-(4-methylsulfonylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 534.64 g/mol, XLogP of 4.19, 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-fluoro-6-(4-methylsulfonylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 131984620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).