2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-(2-phenylethyl)acetamide

C25H24N2OS — CID 84564619

About 2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-(2-phenylethyl)acetamide

2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-(2-phenylethyl)acetamide (PubChem CID 84564619) has the molecular formula C25H24N2OS and a molecular weight of 400.55 g/mol. Its IUPAC name is 2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-(2-phenylethyl)acetamide.

Molecular Properties

• Compound Name: 2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-(2-phenylethyl)acetamide
• PubChem CID: 84564619
• Molecular Formula: C25H24N2OS
• Molecular Weight: 400.55 g/mol
• Exact Mass: 400.16
• IUPAC Name: 2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-(2-phenylethyl)acetamide
• SMILES: Cc1nc(Cc2cccc3ccccc23)sc1CC(=O)NCCc1ccccc1
• InChI: InChI=1S/C25H24N2OS/c1-18-23(17-24(28)26-15-14-19-8-3-2-4-9-19)29-25(27-18)16-21-12-7-11-20-10-5-6-13-22(20)21/h2-13H,14-17H2,1H3,(H,26,28)
• InChIKey: QEPLBSOAWYIQHZ-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 41.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	400.55
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-(2-phenylethyl)acetamide?

The IUPAC name of 2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-(2-phenylethyl)acetamide (CID 84564619) is 2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-(2-phenylethyl)acetamide.

What is the SMILES notation for 2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-(2-phenylethyl)acetamide?

The canonical SMILES for 2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-(2-phenylethyl)acetamide is Cc1nc(Cc2cccc3ccccc23)sc1CC(=O)NCCc1ccccc1.

What is the InChIKey of 2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-(2-phenylethyl)acetamide?

The InChIKey is QEPLBSOAWYIQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2OS/c1-18-23(17-24(28)26-15-14-19-8-3-2-4-9-19)29-25(27-18)16-21-12-7-11-20-10-5-6-13-22(20)21/h2-13H,14-17H2,1H3,(H,26,28).

What are the key properties of 2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-(2-phenylethyl)acetamide?

2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-(2-phenylethyl)acetamide has a molecular weight of 400.55 g/mol, XLogP of 5.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 84564619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).