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

C24H22N2O2S — CID 84565253

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

N-(2-hydroxy-5-methylphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide (PubChem CID 84565253) has the molecular formula C24H22N2O2S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-(2-hydroxy-5-methylphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide.

Molecular Properties

• Compound Name: N-(2-hydroxy-5-methylphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
• PubChem CID: 84565253
• Molecular Formula: C24H22N2O2S
• Molecular Weight: 402.52 g/mol
• Exact Mass: 402.14
• IUPAC Name: N-(2-hydroxy-5-methylphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
• SMILES: Cc1ccc(O)c(NC(=O)Cc2sc(Cc3cccc4ccccc34)nc2C)c1
• InChI: InChI=1S/C24H22N2O2S/c1-15-10-11-21(27)20(12-15)26-23(28)14-22-16(2)25-24(29-22)13-18-8-5-7-17-6-3-4-9-19(17)18/h3-12,27H,13-14H2,1-2H3,(H,26,28)
• InChIKey: GTPSVLXDJPQQAV-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 62.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	402.52
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N-(2-hydroxy-5-methylphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide (CID 84565253) is N-(2-hydroxy-5-methylphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide.

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

The canonical SMILES for N-(2-hydroxy-5-methylphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide is Cc1ccc(O)c(NC(=O)Cc2sc(Cc3cccc4ccccc34)nc2C)c1.

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

The InChIKey is GTPSVLXDJPQQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2S/c1-15-10-11-21(27)20(12-15)26-23(28)14-22-16(2)25-24(29-22)13-18-8-5-7-17-6-3-4-9-19(17)18/h3-12,27H,13-14H2,1-2H3,(H,26,28).

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

N-(2-hydroxy-5-methylphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide has a molecular weight of 402.52 g/mol, XLogP of 5.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-hydroxy-5-methylphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 84565253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).