2-(6-methoxynaphthalen-2-yl)-4-methyl-N-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide

C23H27N3O2S — CID 59338509

About 2-(6-methoxynaphthalen-2-yl)-4-methyl-N-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide

2-(6-methoxynaphthalen-2-yl)-4-methyl-N-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide (PubChem CID 59338509) has the molecular formula C23H27N3O2S and a molecular weight of 409.56 g/mol. Its IUPAC name is 2-(6-methoxynaphthalen-2-yl)-4-methyl-N-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-(6-methoxynaphthalen-2-yl)-4-methyl-N-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide
• PubChem CID: 59338509
• Molecular Formula: C23H27N3O2S
• Molecular Weight: 409.56 g/mol
• Exact Mass: 409.18
• IUPAC Name: 2-(6-methoxynaphthalen-2-yl)-4-methyl-N-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide
• SMILES: COc1ccc2cc(-c3nc(C)c(C(=O)NCCN4CCCCC4)s3)ccc2c1
• InChI: InChI=1S/C23H27N3O2S/c1-16-21(22(27)24-10-13-26-11-4-3-5-12-26)29-23(25-16)19-7-6-18-15-20(28-2)9-8-17(18)14-19/h6-9,14-15H,3-5,10-13H2,1-2H3,(H,24,27)
• InChIKey: NGUDUNHALMOPRO-UHFFFAOYSA-N
• XLogP: 4.50
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.56
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxynaphthalen-2-yl)-4-methyl-N-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide?

The IUPAC name of 2-(6-methoxynaphthalen-2-yl)-4-methyl-N-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide (CID 59338509) is 2-(6-methoxynaphthalen-2-yl)-4-methyl-N-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 2-(6-methoxynaphthalen-2-yl)-4-methyl-N-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide?

The canonical SMILES for 2-(6-methoxynaphthalen-2-yl)-4-methyl-N-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide is COc1ccc2cc(-c3nc(C)c(C(=O)NCCN4CCCCC4)s3)ccc2c1.

What is the InChIKey of 2-(6-methoxynaphthalen-2-yl)-4-methyl-N-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide?

The InChIKey is NGUDUNHALMOPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2S/c1-16-21(22(27)24-10-13-26-11-4-3-5-12-26)29-23(25-16)19-7-6-18-15-20(28-2)9-8-17(18)14-19/h6-9,14-15H,3-5,10-13H2,1-2H3,(H,24,27).

What are the key properties of 2-(6-methoxynaphthalen-2-yl)-4-methyl-N-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide?

2-(6-methoxynaphthalen-2-yl)-4-methyl-N-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 409.56 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-methoxynaphthalen-2-yl)-4-methyl-N-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59338509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).