![N-(5-methyl-1,2-oxazol-3-yl)-2-[[4-(2-methylphenyl)-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide structure](/static/products/847/847402-90-8.png)
N-(5-methyl-1,2-oxazol-3-yl)-2-[[4-(2-methylphenyl)-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
TL;DR: N-(5-methyl-1,2-oxazol-3-yl)-2-[[4-(2-methylphenyl)-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide (CAS 847402-90-8) is a chemical compound with molecular formula C23H20N6O3S2 and molecular weight 492.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-methyl-1,2-oxazol-3-yl)-2-[[4-(2-methylphenyl)-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-(5-methyl-1,2-oxazol-3-yl)-2-[[4-(2-methylphenyl)-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(5-methyl-1,2-oxazol-3-yl)-2-{[4-(2-methylphenyl)-5-[(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(5-methyl-3-isoxazolyl)-2-[[4-(2-methylphenyl)-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]thio]acetamide, N-(5-methylisoxazol-3-yl)-2-((5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4-(o-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, 2-[[5-[(2-keto-1,3-benzothiazol-3-yl)methyl]-4-(o-tolyl)-1,2,4-triazol-3-yl]thio]-N-(5-methylisoxazol-3-yl)acetamide
| Molecular Formula | C23H20N6O3S2 |
|---|---|
| Molecular Weight | 492.10 g/mol |
| LogP | 4.02764 |
| Topological Polar Surface Area | 107.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 492.10382 |
| Heavy Atoms | 34 |
| Complexity | 1547.6289 |
Chemical Identifiers
| CAS Number | 847402-90-8 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC3=NOC(=C3)C)CN4C5=CC=CC=C5SC4=O |
Product Overview
N-(5-methyl-1,2-oxazol-3-yl)-2-[[4-(2-methylphenyl)-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide (CAS 847402-90-8), with molecular formula C23H20N6O3S2 and molecular weight 492.10 g/mol. IUPAC: N-(5-methyl-1,2-oxazol-3-yl)-2-[[4-(2-methylphenyl)-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N-(5-methyl-1,2-oxazol-3-yl)-2-[[4-(2-methylphenyl)-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
Property Insights of N-(5-methyl-1,2-oxazol-3-yl)-2-[[4-(2-methylphenyl)-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
The XLogP value of 4.02764 indicates that N-(5-methyl-1,2-oxazol-3-yl)-2-[[4-(2-methylphenyl)-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.84 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-methyl-1,2-oxazol-3-yl)-2-[[4-(2-methylphenyl)-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide. Following Lipinski's Rule of Five, N-(5-methyl-1,2-oxazol-3-yl)-2-[[4-(2-methylphenyl)-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(5-methyl-1,2-oxazol-3-yl)-2-[[4-(2-methylphenyl)-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The CAS number of N-(5-methyl-1,2-oxazol-3-yl)-2-[[4-(2-methylphenyl)-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide is 847402-90-8.
What is the molecular formula of N-(5-methyl-1,2-oxazol-3-yl)-2-[[4-(2-methylphenyl)-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The molecular formula of N-(5-methyl-1,2-oxazol-3-yl)-2-[[4-(2-methylphenyl)-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide is C23H20N6O3S2.
What is the molecular weight of N-(5-methyl-1,2-oxazol-3-yl)-2-[[4-(2-methylphenyl)-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The molecular weight of N-(5-methyl-1,2-oxazol-3-yl)-2-[[4-(2-methylphenyl)-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide is 492.10 g/mol.
Where can I buy N-(5-methyl-1,2-oxazol-3-yl)-2-[[4-(2-methylphenyl)-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide?
You can request a quote for N-(5-methyl-1,2-oxazol-3-yl)-2-[[4-(2-methylphenyl)-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-methyl-1,2-oxazol-3-yl)-2-[[4-(2-methylphenyl)-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-methyl-1,2-oxazol-3-yl)-2-[[4-(2-methylphenyl)-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.