2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-quinolin-8-ylacetamide

C26H21N3OS — CID 84564711

About 2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-quinolin-8-ylacetamide

2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-quinolin-8-ylacetamide (PubChem CID 84564711) has the molecular formula C26H21N3OS and a molecular weight of 423.54 g/mol. Its IUPAC name is 2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-quinolin-8-ylacetamide.

Molecular Properties

• Compound Name: 2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-quinolin-8-ylacetamide
• PubChem CID: 84564711
• Molecular Formula: C26H21N3OS
• Molecular Weight: 423.54 g/mol
• Exact Mass: 423.14
• IUPAC Name: 2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-quinolin-8-ylacetamide
• SMILES: Cc1nc(Cc2cccc3ccccc23)sc1CC(=O)Nc1cccc2cccnc12
• InChI: InChI=1S/C26H21N3OS/c1-17-23(16-24(30)29-22-13-5-9-19-11-6-14-27-26(19)22)31-25(28-17)15-20-10-4-8-18-7-2-3-12-21(18)20/h2-14H,15-16H2,1H3,(H,29,30)
• InChIKey: JJWGSZSQXRVKTA-UHFFFAOYSA-N
• XLogP: 5.92
• TPSA: 54.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	423.54
LogP ≤ 5	5.92
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-quinolin-8-ylacetamide?

The IUPAC name of 2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-quinolin-8-ylacetamide (CID 84564711) is 2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-quinolin-8-ylacetamide.

What is the SMILES notation for 2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-quinolin-8-ylacetamide?

The canonical SMILES for 2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-quinolin-8-ylacetamide is Cc1nc(Cc2cccc3ccccc23)sc1CC(=O)Nc1cccc2cccnc12.

What is the InChIKey of 2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-quinolin-8-ylacetamide?

The InChIKey is JJWGSZSQXRVKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3OS/c1-17-23(16-24(30)29-22-13-5-9-19-11-6-14-27-26(19)22)31-25(28-17)15-20-10-4-8-18-7-2-3-12-21(18)20/h2-14H,15-16H2,1H3,(H,29,30).

What are the key properties of 2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-quinolin-8-ylacetamide?

2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-quinolin-8-ylacetamide has a molecular weight of 423.54 g/mol, XLogP of 5.92, 5 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-quinolin-8-ylacetamide is sourced from PubChem (CID 84564711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).