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

C29H25N3OS — CID 84565303

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

2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide (PubChem CID 84565303) has the molecular formula C29H25N3OS and a molecular weight of 463.61 g/mol. Its IUPAC name is 2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide
• PubChem CID: 84565303
• Molecular Formula: C29H25N3OS
• Molecular Weight: 463.61 g/mol
• Exact Mass: 463.17
• IUPAC Name: 2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide
• SMILES: Cc1nc(Cc2cccc3ccccc23)sc1CC(=O)Nc1ccc(Cc2ccncc2)cc1
• InChI: InChI=1S/C29H25N3OS/c1-20-27(34-29(31-20)18-24-7-4-6-23-5-2-3-8-26(23)24)19-28(33)32-25-11-9-21(10-12-25)17-22-13-15-30-16-14-22/h2-16H,17-19H2,1H3,(H,32,33)
• InChIKey: QOZYUBNGSCZCFS-UHFFFAOYSA-N
• XLogP: 6.36
• TPSA: 54.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.61
LogP ≤ 5	6.36
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-[4-(pyridin-4-ylmethyl)phenyl]acetamide?

The IUPAC name of 2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide (CID 84565303) is 2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide.

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

The canonical SMILES for 2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide is Cc1nc(Cc2cccc3ccccc23)sc1CC(=O)Nc1ccc(Cc2ccncc2)cc1.

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

The InChIKey is QOZYUBNGSCZCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N3OS/c1-20-27(34-29(31-20)18-24-7-4-6-23-5-2-3-8-26(23)24)19-28(33)32-25-11-9-21(10-12-25)17-22-13-15-30-16-14-22/h2-16H,17-19H2,1H3,(H,32,33).

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

2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide has a molecular weight of 463.61 g/mol, XLogP of 6.36, 7 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-[4-(pyridin-4-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 84565303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).