2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide

C24H27N3O2S2 — CID 4145604

About 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide

2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 4145604) has the molecular formula C24H27N3O2S2 and a molecular weight of 453.63 g/mol. Its IUPAC name is 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide
• PubChem CID: 4145604
• Molecular Formula: C24H27N3O2S2
• Molecular Weight: 453.63 g/mol
• Exact Mass: 453.15
• IUPAC Name: 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide
• SMILES: CC1CC(C)CN(C(=O)CSCC(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)C1
• InChI: InChI=1S/C24H27N3O2S2/c1-16-9-17(2)12-27(11-16)23(29)15-30-14-22(28)26-24-25-21(13-31-24)20-8-7-18-5-3-4-6-19(18)10-20/h3-8,10,13,16-17H,9,11-12,14-15H2,1-2H3,(H,25,26,28)
• InChIKey: LJDHATJJRNVZKP-UHFFFAOYSA-N
• XLogP: 5.14
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	453.63
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide?

The IUPAC name of 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide (CID 4145604) is 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide.

What is the SMILES notation for 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide?

The canonical SMILES for 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide is CC1CC(C)CN(C(=O)CSCC(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)C1.

What is the InChIKey of 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide?

The InChIKey is LJDHATJJRNVZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2S2/c1-16-9-17(2)12-27(11-16)23(29)15-30-14-22(28)26-24-25-21(13-31-24)20-8-7-18-5-3-4-6-19(18)10-20/h3-8,10,13,16-17H,9,11-12,14-15H2,1-2H3,(H,25,26,28).

What are the key properties of 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide?

2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 453.63 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 4145604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).