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

C24H34N4O2S — CID 53103611

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

N-[2-(dimethylamino)ethyl]-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]propanamide (PubChem CID 53103611) has the molecular formula C24H34N4O2S and a molecular weight of 442.63 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]propanamide.

Molecular Properties

• Compound Name: N-[2-(dimethylamino)ethyl]-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]propanamide
• PubChem CID: 53103611
• Molecular Formula: C24H34N4O2S
• Molecular Weight: 442.63 g/mol
• Exact Mass: 442.24
• IUPAC Name: N-[2-(dimethylamino)ethyl]-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(C)C(=O)NCCN(C)C)CC3)s2)cc1
• InChI: InChI=1S/C24H34N4O2S/c1-16-6-8-20(9-7-16)23-26-18(3)21(31-23)24(30)28-13-10-19(11-14-28)17(2)22(29)25-12-15-27(4)5/h6-9,17,19H,10-15H2,1-5H3,(H,25,29)
• InChIKey: OTFAVTHQGIMVOJ-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 65.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.63
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[2-(dimethylamino)ethyl]-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]propanamide (CID 53103611) is N-[2-(dimethylamino)ethyl]-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]propanamide.

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

The canonical SMILES for N-[2-(dimethylamino)ethyl]-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(C)C(=O)NCCN(C)C)CC3)s2)cc1.

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

The InChIKey is OTFAVTHQGIMVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O2S/c1-16-6-8-20(9-7-16)23-26-18(3)21(31-23)24(30)28-13-10-19(11-14-28)17(2)22(29)25-12-15-27(4)5/h6-9,17,19H,10-15H2,1-5H3,(H,25,29).

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

N-[2-(dimethylamino)ethyl]-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]propanamide has a molecular weight of 442.63 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(dimethylamino)ethyl]-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 53103611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).