![2-({[5-Benzyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-2-yl)methyl]-1,3-thiazole-4-carboxamide structure](/static/products/5948/5948-80-1.webp)
2-({[5-Benzyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-2-yl)methyl]-1,3-thiazole-4-carboxamide
TL;DR: 2-({[5-Benzyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-2-yl)methyl]-1,3-thiazole-4-carboxamide (CAS 5948-80-1) is a chemical compound with molecular formula C27H24N6OS2 and molecular weight 512.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-benzyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
Also Known As: 2-({[5-Benzyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-2-yl)methyl]-1,3-thiazole-4-carboxamide
| Molecular Formula | C27H24N6OS2 |
|---|---|
| Molecular Weight | 512.15 g/mol |
| LogP | 5.24032 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 512.1453 |
| Heavy Atoms | 36 |
| Complexity | 1449.6848 |
Chemical Identifiers
| CAS Number | 5948-80-1 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=NN=C2SCC3=NC(=CS3)C(=O)NCC4=CC=CC=N4)CC5=CC=CC=C5 |
Product Overview
2-({[5-Benzyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-2-yl)methyl]-1,3-thiazole-4-carboxamide (CAS 5948-80-1), with molecular formula C27H24N6OS2 and molecular weight 512.15 g/mol. IUPAC: 2-[[5-benzyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide.
Chemical Property Profile of 2-({[5-Benzyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-2-yl)methyl]-1,3-thiazole-4-carboxamide
Property Insights of 2-({[5-Benzyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-2-yl)methyl]-1,3-thiazole-4-carboxamide
The XLogP value of 5.24032 indicates that 2-({[5-Benzyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-2-yl)methyl]-1,3-thiazole-4-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({[5-Benzyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-2-yl)methyl]-1,3-thiazole-4-carboxamide. Following Lipinski's Rule of Five, 2-({[5-Benzyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-2-yl)methyl]-1,3-thiazole-4-carboxamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-({[5-Benzyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The CAS number of 2-({[5-Benzyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-2-yl)methyl]-1,3-thiazole-4-carboxamide is 5948-80-1.
What is the molecular formula of 2-({[5-Benzyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The molecular formula of 2-({[5-Benzyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-2-yl)methyl]-1,3-thiazole-4-carboxamide is C27H24N6OS2.
What is the molecular weight of 2-({[5-Benzyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The molecular weight of 2-({[5-Benzyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-2-yl)methyl]-1,3-thiazole-4-carboxamide is 512.15 g/mol.
Where can I buy 2-({[5-Benzyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-2-yl)methyl]-1,3-thiazole-4-carboxamide?
You can request a quote for 2-({[5-Benzyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-2-yl)methyl]-1,3-thiazole-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({[5-Benzyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-2-yl)methyl]-1,3-thiazole-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-({[5-Benzyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-2-yl)methyl]-1,3-thiazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.