(2S)-N-cyclohexyl-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]propanamide

C26H35N3O2S — CID 95084158

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

(2S)-N-cyclohexyl-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]propanamide (PubChem CID 95084158) has the molecular formula C26H35N3O2S and a molecular weight of 453.65 g/mol. Its IUPAC name is (2S)-N-cyclohexyl-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]propanamide.

Molecular Properties

• Compound Name: (2S)-N-cyclohexyl-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]propanamide
• PubChem CID: 95084158
• Molecular Formula: C26H35N3O2S
• Molecular Weight: 453.65 g/mol
• Exact Mass: 453.24
• IUPAC Name: (2S)-N-cyclohexyl-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]propanamide
• SMILES: Cc1ccc(-c2nc(C)c(C(=O)N3CCC([C@H](C)C(=O)NC4CCCCC4)CC3)s2)cc1
• InChI: InChI=1S/C26H35N3O2S/c1-17-9-11-21(12-10-17)25-27-19(3)23(32-25)26(31)29-15-13-20(14-16-29)18(2)24(30)28-22-7-5-4-6-8-22/h9-12,18,20,22H,4-8,13-16H2,1-3H3,(H,28,30)/t18-/m0/s1
• InChIKey: GRJJDNHGKPZNFV-SFHVURJKSA-N
• XLogP: 5.36
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	453.65
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (2S)-N-cyclohexyl-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]propanamide (CID 95084158) is (2S)-N-cyclohexyl-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]propanamide.

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

The canonical SMILES for (2S)-N-cyclohexyl-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]propanamide is Cc1ccc(-c2nc(C)c(C(=O)N3CCC([C@H](C)C(=O)NC4CCCCC4)CC3)s2)cc1.

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

The InChIKey is GRJJDNHGKPZNFV-SFHVURJKSA-N. The full InChI is InChI=1S/C26H35N3O2S/c1-17-9-11-21(12-10-17)25-27-19(3)23(32-25)26(31)29-15-13-20(14-16-29)18(2)24(30)28-22-7-5-4-6-8-22/h9-12,18,20,22H,4-8,13-16H2,1-3H3,(H,28,30)/t18-/m0/s1.

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

(2S)-N-cyclohexyl-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]propanamide has a molecular weight of 453.65 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-cyclohexyl-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 95084158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).