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

C19H22N6OS2 — CID 133340439

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

6-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 133340439) has the molecular formula C19H22N6OS2 and a molecular weight of 414.56 g/mol. Its IUPAC name is 6-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
• PubChem CID: 133340439
• Molecular Formula: C19H22N6OS2
• Molecular Weight: 414.56 g/mol
• Exact Mass: 414.13
• IUPAC Name: 6-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
• SMILES: CC(C)c1csc(C2CCCN(c3ccc(C(=O)Nc4nncs4)cn3)C2)n1
• InChI: InChI=1S/C19H22N6OS2/c1-12(2)15-10-27-18(22-15)14-4-3-7-25(9-14)16-6-5-13(8-20-16)17(26)23-19-24-21-11-28-19/h5-6,8,10-12,14H,3-4,7,9H2,1-2H3,(H,23,24,26)
• InChIKey: GEWNUFBUOOJFHZ-UHFFFAOYSA-N
• XLogP: 4.15
• TPSA: 83.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.56
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 6-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (CID 133340439) is 6-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

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

The canonical SMILES for 6-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is CC(C)c1csc(C2CCCN(c3ccc(C(=O)Nc4nncs4)cn3)C2)n1.

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

The InChIKey is GEWNUFBUOOJFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6OS2/c1-12(2)15-10-27-18(22-15)14-4-3-7-25(9-14)16-6-5-13(8-20-16)17(26)23-19-24-21-11-28-19/h5-6,8,10-12,14H,3-4,7,9H2,1-2H3,(H,23,24,26).

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

6-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 414.56 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 133340439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).