1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

C22H24N4O3S — CID 38497854

About 1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (PubChem CID 38497854) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is 1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
• PubChem CID: 38497854
• Molecular Formula: C22H24N4O3S
• Molecular Weight: 424.53 g/mol
• Exact Mass: 424.16
• IUPAC Name: 1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
• SMILES: Cc1ccc(-c2nc(C)c(C(=O)N3CCC(C(=O)NCc4cccnc4)CC3)s2)o1
• InChI: InChI=1S/C22H24N4O3S/c1-14-5-6-18(29-14)21-25-15(2)19(30-21)22(28)26-10-7-17(8-11-26)20(27)24-13-16-4-3-9-23-12-16/h3-6,9,12,17H,7-8,10-11,13H2,1-2H3,(H,24,27)
• InChIKey: DLOGCMWUMLTQNW-UHFFFAOYSA-N
• XLogP: 3.58
• TPSA: 88.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.53
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?

The IUPAC name of 1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (CID 38497854) is 1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.

What is the SMILES notation for 1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?

The canonical SMILES for 1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is Cc1ccc(-c2nc(C)c(C(=O)N3CCC(C(=O)NCc4cccnc4)CC3)s2)o1.

What is the InChIKey of 1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?

The InChIKey is DLOGCMWUMLTQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-14-5-6-18(29-14)21-25-15(2)19(30-21)22(28)26-10-7-17(8-11-26)20(27)24-13-16-4-3-9-23-12-16/h3-6,9,12,17H,7-8,10-11,13H2,1-2H3,(H,24,27).

What are the key properties of 1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?

1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide has a molecular weight of 424.53 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 38497854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).