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

C26H26N2O2S — CID 84565282

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

2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-(2-propoxyphenyl)acetamide (PubChem CID 84565282) has the molecular formula C26H26N2O2S and a molecular weight of 430.57 g/mol. Its IUPAC name is 2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-(2-propoxyphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-(2-propoxyphenyl)acetamide
• PubChem CID: 84565282
• Molecular Formula: C26H26N2O2S
• Molecular Weight: 430.57 g/mol
• Exact Mass: 430.17
• IUPAC Name: 2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-(2-propoxyphenyl)acetamide
• SMILES: CCCOc1ccccc1NC(=O)Cc1sc(Cc2cccc3ccccc23)nc1C
• InChI: InChI=1S/C26H26N2O2S/c1-3-15-30-23-14-7-6-13-22(23)28-25(29)17-24-18(2)27-26(31-24)16-20-11-8-10-19-9-4-5-12-21(19)20/h4-14H,3,15-17H2,1-2H3,(H,28,29)
• InChIKey: ROMCAZYOQGCGID-UHFFFAOYSA-N
• XLogP: 6.17
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.57
LogP ≤ 5	6.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-(2-propoxyphenyl)acetamide (CID 84565282) is 2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-(2-propoxyphenyl)acetamide.

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

The canonical SMILES for 2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-(2-propoxyphenyl)acetamide is CCCOc1ccccc1NC(=O)Cc1sc(Cc2cccc3ccccc23)nc1C.

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

The InChIKey is ROMCAZYOQGCGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2S/c1-3-15-30-23-14-7-6-13-22(23)28-25(29)17-24-18(2)27-26(31-24)16-20-11-8-10-19-9-4-5-12-21(19)20/h4-14H,3,15-17H2,1-2H3,(H,28,29).

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

2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-(2-propoxyphenyl)acetamide has a molecular weight of 430.57 g/mol, XLogP of 6.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 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-propoxyphenyl)acetamide is sourced from PubChem (CID 84565282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).