3-fluoro-4-[2-[(1R)-1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]benzonitrile

C23H24FN7O2S — CID 131984612

About 3-fluoro-4-[2-[(1R)-1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]benzonitrile

3-fluoro-4-[2-[(1R)-1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]benzonitrile (PubChem CID 131984612) has the molecular formula C23H24FN7O2S and a molecular weight of 481.56 g/mol. Its IUPAC name is 3-fluoro-4-[2-[(1R)-1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]benzonitrile.

Molecular Properties

• Compound Name: 3-fluoro-4-[2-[(1R)-1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]benzonitrile
• PubChem CID: 131984612
• Molecular Formula: C23H24FN7O2S
• Molecular Weight: 481.56 g/mol
• Exact Mass: 481.17
• IUPAC Name: 3-fluoro-4-[2-[(1R)-1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]benzonitrile
• SMILES: CC(C)c1noc(N2CCC([C@@H](C)Oc3nn4cc(-c5ccc(C#N)cc5F)nc4s3)CC2)n1
• InChI: InChI=1S/C23H24FN7O2S/c1-13(2)20-27-21(33-29-20)30-8-6-16(7-9-30)14(3)32-23-28-31-12-19(26-22(31)34-23)17-5-4-15(11-25)10-18(17)24/h4-5,10,12-14,16H,6-9H2,1-3H3/t14-/m1/s1
• InChIKey: HFMUFRGFWOKXHU-CQSZACIVSA-N
• XLogP: 4.66
• TPSA: 105.37 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.56
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[2-[(1R)-1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]benzonitrile?

The IUPAC name of 3-fluoro-4-[2-[(1R)-1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]benzonitrile (CID 131984612) is 3-fluoro-4-[2-[(1R)-1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]benzonitrile.

What is the SMILES notation for 3-fluoro-4-[2-[(1R)-1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]benzonitrile?

The canonical SMILES for 3-fluoro-4-[2-[(1R)-1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]benzonitrile is CC(C)c1noc(N2CCC([C@@H](C)Oc3nn4cc(-c5ccc(C#N)cc5F)nc4s3)CC2)n1.

What is the InChIKey of 3-fluoro-4-[2-[(1R)-1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]benzonitrile?

The InChIKey is HFMUFRGFWOKXHU-CQSZACIVSA-N. The full InChI is InChI=1S/C23H24FN7O2S/c1-13(2)20-27-21(33-29-20)30-8-6-16(7-9-30)14(3)32-23-28-31-12-19(26-22(31)34-23)17-5-4-15(11-25)10-18(17)24/h4-5,10,12-14,16H,6-9H2,1-3H3/t14-/m1/s1.

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

3-fluoro-4-[2-[(1R)-1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]benzonitrile has a molecular weight of 481.56 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-4-[2-[(1R)-1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]benzonitrile is sourced from PubChem (CID 131984612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).