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

C23H34N6OS — CID 124970242

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

1-[(3R)-3-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-1-one (PubChem CID 124970242) has the molecular formula C23H34N6OS and a molecular weight of 442.63 g/mol. Its IUPAC name is 1-[(3R)-3-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

• Compound Name: 1-[(3R)-3-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-1-one
• PubChem CID: 124970242
• Molecular Formula: C23H34N6OS
• Molecular Weight: 442.63 g/mol
• Exact Mass: 442.25
• IUPAC Name: 1-[(3R)-3-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-1-one
• SMILES: CCc1nnc(Nc2cccc([C@@H]3CCCN(C(=O)CCN4CCC(C)CC4)C3)n2)s1
• InChI: InChI=1S/C23H34N6OS/c1-3-21-26-27-23(31-21)25-20-8-4-7-19(24-20)18-6-5-12-29(16-18)22(30)11-15-28-13-9-17(2)10-14-28/h4,7-8,17-18H,3,5-6,9-16H2,1-2H3,(H,24,25,27)/t18-/m1/s1
• InChIKey: JONLHNOHSWXSIH-GOSISDBHSA-N
• XLogP: 4.07
• TPSA: 74.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.63
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-[(3R)-3-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-1-one (CID 124970242) is 1-[(3R)-3-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-1-one.

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

The canonical SMILES for 1-[(3R)-3-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-1-one is CCc1nnc(Nc2cccc([C@@H]3CCCN(C(=O)CCN4CCC(C)CC4)C3)n2)s1.

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

The InChIKey is JONLHNOHSWXSIH-GOSISDBHSA-N. The full InChI is InChI=1S/C23H34N6OS/c1-3-21-26-27-23(31-21)25-20-8-4-7-19(24-20)18-6-5-12-29(16-18)22(30)11-15-28-13-9-17(2)10-14-28/h4,7-8,17-18H,3,5-6,9-16H2,1-2H3,(H,24,25,27)/t18-/m1/s1.

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

1-[(3R)-3-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-1-one has a molecular weight of 442.63 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3R)-3-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 124970242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).