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

C21H24FN7O2S — CID 131984602

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

5-[4-[(1S)-1-[6-(3-fluoro-4-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 131984602) has the molecular formula C21H24FN7O2S and a molecular weight of 457.54 g/mol. Its IUPAC name is 5-[4-[(1S)-1-[6-(3-fluoro-4-pyridinyl)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-[(1S)-1-[6-(3-fluoro-4-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
• PubChem CID: 131984602
• Molecular Formula: C21H24FN7O2S
• Molecular Weight: 457.54 g/mol
• Exact Mass: 457.17
• IUPAC Name: 5-[4-[(1S)-1-[6-(3-fluoro-4-pyridinyl)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@H](C)Oc3nn4cc(-c5ccncc5F)nc4s3)CC2)n1
• InChI: InChI=1S/C21H24FN7O2S/c1-12(2)18-25-19(31-27-18)28-8-5-14(6-9-28)13(3)30-21-26-29-11-17(24-20(29)32-21)15-4-7-23-10-16(15)22/h4,7,10-14H,5-6,8-9H2,1-3H3/t13-/m0/s1
• InChIKey: DFPNMCPSSXQZGN-ZDUSSCGKSA-N
• XLogP: 4.18
• TPSA: 94.47 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.54
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(1S)-1-[6-(3-fluoro-4-pyridinyl)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-[(1S)-1-[6-(3-fluoro-4-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (CID 131984602) is 5-[4-[(1S)-1-[6-(3-fluoro-4-pyridinyl)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-[(1S)-1-[6-(3-fluoro-4-pyridinyl)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-[(1S)-1-[6-(3-fluoro-4-pyridinyl)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@H](C)Oc3nn4cc(-c5ccncc5F)nc4s3)CC2)n1.

What is the InChIKey of 5-[4-[(1S)-1-[6-(3-fluoro-4-pyridinyl)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 DFPNMCPSSXQZGN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H24FN7O2S/c1-12(2)18-25-19(31-27-18)28-8-5-14(6-9-28)13(3)30-21-26-29-11-17(24-20(29)32-21)15-4-7-23-10-16(15)22/h4,7,10-14H,5-6,8-9H2,1-3H3/t13-/m0/s1.

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

5-[4-[(1S)-1-[6-(3-fluoro-4-pyridinyl)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 457.54 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[(1S)-1-[6-(3-fluoro-4-pyridinyl)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 131984602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).