N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide
TL;DR: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide (CAS 878419-15-9) is a chemical compound with molecular formula C12H11N5O2S2 and molecular weight 321.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide
Also Known As: BAS 12711408, N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide, N-(6-Methoxy-benzothiazol-2-yl)-2-(3H-[1,2,3]triazol-4-ylsulfanyl)-acetamide, 2-(1H-1,2,3-triazol-5-ylthio)-N-(6-methoxybenzothiazol-2-yl)acetamide, N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(1H-1,2,3-triazol-5-ylsulfanyl)acetamide
| Molecular Formula | C12H11N5O2S2 |
|---|---|
| Molecular Weight | 321.04 g/mol |
| LogP | 2.1538 |
| Topological Polar Surface Area | 92.79 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 321.03543 |
| Heavy Atoms | 21 |
| Complexity | 756.19684 |
Chemical Identifiers
| CAS Number | 878419-15-9 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NNN=C3 |
Product Overview
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide (CAS 878419-15-9), with molecular formula C12H11N5O2S2 and molecular weight 321.04 g/mol. IUPAC: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide.
Chemical Property Profile of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide
Property Insights of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide
The XLogP value of 2.1538 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide. The TPSA of 92.79 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide. Following Lipinski's Rule of Five, N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide has 2 hydrogen bond donor(s) and 7 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-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide?
The CAS number of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide is 878419-15-9.
What is the molecular formula of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide?
The molecular formula of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide is C12H11N5O2S2.
What is the molecular weight of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide?
The molecular weight of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide is 321.04 g/mol.
Where can I buy N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide?
You can request a quote for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.