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

C25H22N2O2S — CID 84565256

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

N-(3-acetylphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide (PubChem CID 84565256) has the molecular formula C25H22N2O2S and a molecular weight of 414.53 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide.

Molecular Properties

• Compound Name: N-(3-acetylphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
• PubChem CID: 84565256
• Molecular Formula: C25H22N2O2S
• Molecular Weight: 414.53 g/mol
• Exact Mass: 414.14
• IUPAC Name: N-(3-acetylphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
• SMILES: CC(=O)c1cccc(NC(=O)Cc2sc(Cc3cccc4ccccc34)nc2C)c1
• InChI: InChI=1S/C25H22N2O2S/c1-16-23(15-24(29)27-21-11-6-9-19(13-21)17(2)28)30-25(26-16)14-20-10-5-8-18-7-3-4-12-22(18)20/h3-13H,14-15H2,1-2H3,(H,27,29)
• InChIKey: VQJXMTJGTIXKET-UHFFFAOYSA-N
• XLogP: 5.58
• TPSA: 59.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	414.53
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-(3-acetylphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide (CID 84565256) is N-(3-acetylphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide.

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

The canonical SMILES for N-(3-acetylphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide is CC(=O)c1cccc(NC(=O)Cc2sc(Cc3cccc4ccccc34)nc2C)c1.

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

The InChIKey is VQJXMTJGTIXKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O2S/c1-16-23(15-24(29)27-21-11-6-9-19(13-21)17(2)28)30-25(26-16)14-20-10-5-8-18-7-3-4-12-22(18)20/h3-13H,14-15H2,1-2H3,(H,27,29).

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

N-(3-acetylphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide has a molecular weight of 414.53 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-acetylphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 84565256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).