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

C25H24N2O3S — CID 84565259

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

N-(2,5-dimethoxyphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide (PubChem CID 84565259) has the molecular formula C25H24N2O3S and a molecular weight of 432.55 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide.

Molecular Properties

• Compound Name: N-(2,5-dimethoxyphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
• PubChem CID: 84565259
• Molecular Formula: C25H24N2O3S
• Molecular Weight: 432.55 g/mol
• Exact Mass: 432.15
• IUPAC Name: N-(2,5-dimethoxyphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
• SMILES: COc1ccc(OC)c(NC(=O)Cc2sc(Cc3cccc4ccccc34)nc2C)c1
• InChI: InChI=1S/C25H24N2O3S/c1-16-23(15-24(28)27-21-14-19(29-2)11-12-22(21)30-3)31-25(26-16)13-18-9-6-8-17-7-4-5-10-20(17)18/h4-12,14H,13,15H2,1-3H3,(H,27,28)
• InChIKey: HNKPUUSIVHBZHH-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 60.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.55
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide (CID 84565259) is N-(2,5-dimethoxyphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide.

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

The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide is COc1ccc(OC)c(NC(=O)Cc2sc(Cc3cccc4ccccc34)nc2C)c1.

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

The InChIKey is HNKPUUSIVHBZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3S/c1-16-23(15-24(28)27-21-14-19(29-2)11-12-22(21)30-3)31-25(26-16)13-18-9-6-8-17-7-4-5-10-20(17)18/h4-12,14H,13,15H2,1-3H3,(H,27,28).

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

N-(2,5-dimethoxyphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide has a molecular weight of 432.55 g/mol, XLogP of 5.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,5-dimethoxyphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 84565259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).