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

C26H27N3OS — CID 84561397

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

N-ethyl-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-(2-pyridin-4-ylethyl)acetamide (PubChem CID 84561397) has the molecular formula C26H27N3OS and a molecular weight of 429.59 g/mol. Its IUPAC name is N-ethyl-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-(2-pyridin-4-ylethyl)acetamide.

Molecular Properties

• Compound Name: N-ethyl-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-(2-pyridin-4-ylethyl)acetamide
• PubChem CID: 84561397
• Molecular Formula: C26H27N3OS
• Molecular Weight: 429.59 g/mol
• Exact Mass: 429.19
• IUPAC Name: N-ethyl-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-(2-pyridin-4-ylethyl)acetamide
• SMILES: CCN(CCc1ccncc1)C(=O)Cc1sc(Cc2cccc3ccccc23)nc1C
• InChI: InChI=1S/C26H27N3OS/c1-3-29(16-13-20-11-14-27-15-12-20)26(30)18-24-19(2)28-25(31-24)17-22-9-6-8-21-7-4-5-10-23(21)22/h4-12,14-15H,3,13,16-18H2,1-2H3
• InChIKey: ONFSCILCAFMRRE-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 46.09 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	429.59
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-ethyl-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-(2-pyridin-4-ylethyl)acetamide (CID 84561397) is N-ethyl-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-(2-pyridin-4-ylethyl)acetamide.

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

The canonical SMILES for N-ethyl-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-(2-pyridin-4-ylethyl)acetamide is CCN(CCc1ccncc1)C(=O)Cc1sc(Cc2cccc3ccccc23)nc1C.

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

The InChIKey is ONFSCILCAFMRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3OS/c1-3-29(16-13-20-11-14-27-15-12-20)26(30)18-24-19(2)28-25(31-24)17-22-9-6-8-21-7-4-5-10-23(21)22/h4-12,14-15H,3,13,16-18H2,1-2H3.

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

N-ethyl-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-(2-pyridin-4-ylethyl)acetamide has a molecular weight of 429.59 g/mol, XLogP of 5.22, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-(2-pyridin-4-ylethyl)acetamide is sourced from PubChem (CID 84561397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).