6-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

C18H21N7OS — CID 133329585

About 6-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

6-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 133329585) has the molecular formula C18H21N7OS and a molecular weight of 383.48 g/mol. Its IUPAC name is 6-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
• PubChem CID: 133329585
• Molecular Formula: C18H21N7OS
• Molecular Weight: 383.48 g/mol
• Exact Mass: 383.15
• IUPAC Name: 6-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
• SMILES: CCc1nccn1C1CCCN(c2ccc(C(=O)Nc3nncs3)cn2)C1
• InChI: InChI=1S/C18H21N7OS/c1-2-15-19-7-9-25(15)14-4-3-8-24(11-14)16-6-5-13(10-20-16)17(26)22-18-23-21-12-27-18/h5-7,9-10,12,14H,2-4,8,11H2,1H3,(H,22,23,26)
• InChIKey: UZCOJMBLCADTHM-UHFFFAOYSA-N
• XLogP: 2.79
• TPSA: 88.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.48
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?

The IUPAC name of 6-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (CID 133329585) is 6-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

What is the SMILES notation for 6-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?

The canonical SMILES for 6-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is CCc1nccn1C1CCCN(c2ccc(C(=O)Nc3nncs3)cn2)C1.

What is the InChIKey of 6-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?

The InChIKey is UZCOJMBLCADTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7OS/c1-2-15-19-7-9-25(15)14-4-3-8-24(11-14)16-6-5-13(10-20-16)17(26)22-18-23-21-12-27-18/h5-7,9-10,12,14H,2-4,8,11H2,1H3,(H,22,23,26).

What are the key properties of 6-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?

6-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 383.48 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 133329585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).