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

C22H27N7O3S — CID 131984724

About 5-[4-[(1S)-1-[6-(2-methoxy-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-(2-methoxy-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 131984724) has the molecular formula C22H27N7O3S and a molecular weight of 469.57 g/mol. Its IUPAC name is 5-[4-[(1S)-1-[6-(2-methoxy-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-(2-methoxy-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: 131984724
• Molecular Formula: C22H27N7O3S
• Molecular Weight: 469.57 g/mol
• Exact Mass: 469.19
• IUPAC Name: 5-[4-[(1S)-1-[6-(2-methoxy-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: COc1cc(-c2cn3nc(O[C@@H](C)C4CCN(c5nc(C(C)C)no5)CC4)sc3n2)ccn1
• InChI: InChI=1S/C22H27N7O3S/c1-13(2)19-25-20(32-27-19)28-9-6-15(7-10-28)14(3)31-22-26-29-12-17(24-21(29)33-22)16-5-8-23-18(11-16)30-4/h5,8,11-15H,6-7,9-10H2,1-4H3/t14-/m0/s1
• InChIKey: YIHKNWQHXZPDJO-AWEZNQCLSA-N
• XLogP: 4.05
• TPSA: 103.70 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.57
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(1S)-1-[6-(2-methoxy-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-(2-methoxy-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 131984724) is 5-[4-[(1S)-1-[6-(2-methoxy-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-(2-methoxy-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-(2-methoxy-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 COc1cc(-c2cn3nc(O[C@@H](C)C4CCN(c5nc(C(C)C)no5)CC4)sc3n2)ccn1.

What is the InChIKey of 5-[4-[(1S)-1-[6-(2-methoxy-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 YIHKNWQHXZPDJO-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H27N7O3S/c1-13(2)19-25-20(32-27-19)28-9-6-15(7-10-28)14(3)31-22-26-29-12-17(24-21(29)33-22)16-5-8-23-18(11-16)30-4/h5,8,11-15H,6-7,9-10H2,1-4H3/t14-/m0/s1.

What are the key properties of 5-[4-[(1S)-1-[6-(2-methoxy-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-(2-methoxy-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 469.57 g/mol, XLogP of 4.05, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[(1S)-1-[6-(2-methoxy-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 131984724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).