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

C23H27FN6O2S2 — CID 131984632

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

5-[4-[(1R)-1-[6-(3-fluoro-4-methylsulfanylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 131984632) has the molecular formula C23H27FN6O2S2 and a molecular weight of 502.64 g/mol. Its IUPAC name is 5-[4-[(1R)-1-[6-(3-fluoro-4-methylsulfanylphenyl)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-[(1R)-1-[6-(3-fluoro-4-methylsulfanylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
• PubChem CID: 131984632
• Molecular Formula: C23H27FN6O2S2
• Molecular Weight: 502.64 g/mol
• Exact Mass: 502.16
• IUPAC Name: 5-[4-[(1R)-1-[6-(3-fluoro-4-methylsulfanylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
• SMILES: CSc1ccc(-c2cn3nc(O[C@H](C)C4CCN(c5nc(C(C)C)no5)CC4)sc3n2)cc1F
• InChI: InChI=1S/C23H27FN6O2S2/c1-13(2)20-26-21(32-28-20)29-9-7-15(8-10-29)14(3)31-23-27-30-12-18(25-22(30)34-23)16-5-6-19(33-4)17(24)11-16/h5-6,11-15H,7-10H2,1-4H3/t14-/m1/s1
• InChIKey: AHRMVHAVGZJIRF-CQSZACIVSA-N
• XLogP: 5.51
• TPSA: 81.58 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.64
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(1R)-1-[6-(3-fluoro-4-methylsulfanylphenyl)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-[(1R)-1-[6-(3-fluoro-4-methylsulfanylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (CID 131984632) is 5-[4-[(1R)-1-[6-(3-fluoro-4-methylsulfanylphenyl)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-[(1R)-1-[6-(3-fluoro-4-methylsulfanylphenyl)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-[(1R)-1-[6-(3-fluoro-4-methylsulfanylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole is CSc1ccc(-c2cn3nc(O[C@H](C)C4CCN(c5nc(C(C)C)no5)CC4)sc3n2)cc1F.

What is the InChIKey of 5-[4-[(1R)-1-[6-(3-fluoro-4-methylsulfanylphenyl)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 AHRMVHAVGZJIRF-CQSZACIVSA-N. The full InChI is InChI=1S/C23H27FN6O2S2/c1-13(2)20-26-21(32-28-20)29-9-7-15(8-10-29)14(3)31-23-27-30-12-18(25-22(30)34-23)16-5-6-19(33-4)17(24)11-16/h5-6,11-15H,7-10H2,1-4H3/t14-/m1/s1.

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

5-[4-[(1R)-1-[6-(3-fluoro-4-methylsulfanylphenyl)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 502.64 g/mol, XLogP of 5.51, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[(1R)-1-[6-(3-fluoro-4-methylsulfanylphenyl)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 131984632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).