(2R)-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)propanamide

C26H30N4O2S — CID 95113552

About (2R)-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)propanamide

(2R)-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 95113552) has the molecular formula C26H30N4O2S and a molecular weight of 462.62 g/mol. Its IUPAC name is (2R)-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

• Compound Name: (2R)-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)propanamide
• PubChem CID: 95113552
• Molecular Formula: C26H30N4O2S
• Molecular Weight: 462.62 g/mol
• Exact Mass: 462.21
• IUPAC Name: (2R)-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)propanamide
• SMILES: Cc1ccc(-c2nc(C)c(C(=O)N3CCC([C@@H](C)C(=O)NCc4ccccn4)CC3)s2)cc1
• InChI: InChI=1S/C26H30N4O2S/c1-17-7-9-21(10-8-17)25-29-19(3)23(33-25)26(32)30-14-11-20(12-15-30)18(2)24(31)28-16-22-6-4-5-13-27-22/h4-10,13,18,20H,11-12,14-16H2,1-3H3,(H,28,31)/t18-/m1/s1
• InChIKey: DHTOYOYGBLQLMK-GOSISDBHSA-N
• XLogP: 4.63
• TPSA: 75.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.62
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)propanamide?

The IUPAC name of (2R)-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)propanamide (CID 95113552) is (2R)-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)propanamide.

What is the SMILES notation for (2R)-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)propanamide?

The canonical SMILES for (2R)-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)propanamide is Cc1ccc(-c2nc(C)c(C(=O)N3CCC([C@@H](C)C(=O)NCc4ccccn4)CC3)s2)cc1.

What is the InChIKey of (2R)-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)propanamide?

The InChIKey is DHTOYOYGBLQLMK-GOSISDBHSA-N. The full InChI is InChI=1S/C26H30N4O2S/c1-17-7-9-21(10-8-17)25-29-19(3)23(33-25)26(32)30-14-11-20(12-15-30)18(2)24(31)28-16-22-6-4-5-13-27-22/h4-10,13,18,20H,11-12,14-16H2,1-3H3,(H,28,31)/t18-/m1/s1.

What are the key properties of (2R)-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)propanamide?

(2R)-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 462.62 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 95113552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).