2-[3-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone

C22H32N6OS — CID 110265474

About 2-[3-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone

2-[3-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 110265474) has the molecular formula C22H32N6OS and a molecular weight of 428.61 g/mol. Its IUPAC name is 2-[3-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

• Compound Name: 2-[3-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
• PubChem CID: 110265474
• Molecular Formula: C22H32N6OS
• Molecular Weight: 428.61 g/mol
• Exact Mass: 428.24
• IUPAC Name: 2-[3-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
• SMILES: CCc1nnc(Nc2cccc(C3CCCN(CC(=O)N4CCC(C)CC4)C3)n2)s1
• InChI: InChI=1S/C22H32N6OS/c1-3-20-25-26-22(30-20)24-19-8-4-7-18(23-19)17-6-5-11-27(14-17)15-21(29)28-12-9-16(2)10-13-28/h4,7-8,16-17H,3,5-6,9-15H2,1-2H3,(H,23,24,26)
• InChIKey: YKVVYUPGQCDELN-UHFFFAOYSA-N
• XLogP: 3.68
• TPSA: 74.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.61
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?

The IUPAC name of 2-[3-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone (CID 110265474) is 2-[3-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone.

What is the SMILES notation for 2-[3-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?

The canonical SMILES for 2-[3-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone is CCc1nnc(Nc2cccc(C3CCCN(CC(=O)N4CCC(C)CC4)C3)n2)s1.

What is the InChIKey of 2-[3-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?

The InChIKey is YKVVYUPGQCDELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6OS/c1-3-20-25-26-22(30-20)24-19-8-4-7-18(23-19)17-6-5-11-27(14-17)15-21(29)28-12-9-16(2)10-13-28/h4,7-8,16-17H,3,5-6,9-15H2,1-2H3,(H,23,24,26).

What are the key properties of 2-[3-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?

2-[3-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 428.61 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 110265474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).