2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]acetamide

C26H23N5O3S — CID 55701045

About 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]acetamide

2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]acetamide (PubChem CID 55701045) has the molecular formula C26H23N5O3S and a molecular weight of 485.57 g/mol. Its IUPAC name is 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]acetamide
• PubChem CID: 55701045
• Molecular Formula: C26H23N5O3S
• Molecular Weight: 485.57 g/mol
• Exact Mass: 485.15
• IUPAC Name: 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]acetamide
• SMILES: Cc1ccc(OCc2nc(CC(=O)Nc3cccc(Cn4nc5ccccn5c4=O)c3)cs2)cc1
• InChI: InChI=1S/C26H23N5O3S/c1-18-8-10-22(11-9-18)34-16-25-28-21(17-35-25)14-24(32)27-20-6-4-5-19(13-20)15-31-26(33)30-12-3-2-7-23(30)29-31/h2-13,17H,14-16H2,1H3,(H,27,32)
• InChIKey: QIIINXWURBPBAA-UHFFFAOYSA-N
• XLogP: 4.07
• TPSA: 90.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.57
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]acetamide?

The IUPAC name of 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]acetamide (CID 55701045) is 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]acetamide.

What is the SMILES notation for 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]acetamide?

The canonical SMILES for 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]acetamide is Cc1ccc(OCc2nc(CC(=O)Nc3cccc(Cn4nc5ccccn5c4=O)c3)cs2)cc1.

What is the InChIKey of 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]acetamide?

The InChIKey is QIIINXWURBPBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O3S/c1-18-8-10-22(11-9-18)34-16-25-28-21(17-35-25)14-24(32)27-20-6-4-5-19(13-20)15-31-26(33)30-12-3-2-7-23(30)29-31/h2-13,17H,14-16H2,1H3,(H,27,32).

What are the key properties of 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]acetamide?

2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]acetamide has a molecular weight of 485.57 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 55701045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).