![N-{5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1H-1,2,4-triazol-3-yl}-2-methoxybenzamide structure](/static/products/7178/717892-06-3.webp)
N-{5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1H-1,2,4-triazol-3-yl}-2-methoxybenzamide
TL;DR: N-{5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1H-1,2,4-triazol-3-yl}-2-methoxybenzamide (CAS 717892-06-3) is a chemical compound with molecular formula C18H15N5O2S2 and molecular weight 397.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]-2-methoxybenzamide
Also Known As: N-{5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1H-1,2,4-triazol-3-yl}-2-methoxybenzamide, N-(5-((benzo[d]thiazol-2-ylthio)methyl)-1H-1,2,4-triazol-3-yl)-2-methoxybenzamide, N-[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]-2-methoxybenzamide, N-[5-(benzothiazol-2-ylthiomethyl)(1H-1,2,4-triazol-3-yl)](2-methoxyphenyl)car boxamide
| Molecular Formula | C18H15N5O2S2 |
|---|---|
| Molecular Weight | 397.07 g/mol |
| LogP | 3.9676 |
| Topological Polar Surface Area | 92.79 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 397.0667 |
| Heavy Atoms | 27 |
| Complexity | 1059.0077 |
Chemical Identifiers
| CAS Number | 717892-06-3 |
|---|---|
| SMILES | COC1=CC=CC=C1C(=O)NC2=NNC(=N2)CSC3=NC4=CC=CC=C4S3 |
Product Overview
N-{5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1H-1,2,4-triazol-3-yl}-2-methoxybenzamide (CAS 717892-06-3), with molecular formula C18H15N5O2S2 and molecular weight 397.07 g/mol. IUPAC: N-[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]-2-methoxybenzamide.
Chemical Property Profile of N-{5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1H-1,2,4-triazol-3-yl}-2-methoxybenzamide
Property Insights of N-{5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1H-1,2,4-triazol-3-yl}-2-methoxybenzamide
The XLogP value of 3.9676 indicates that N-{5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1H-1,2,4-triazol-3-yl}-2-methoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.79 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1H-1,2,4-triazol-3-yl}-2-methoxybenzamide. Following Lipinski's Rule of Five, N-{5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1H-1,2,4-triazol-3-yl}-2-methoxybenzamide 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-{5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1H-1,2,4-triazol-3-yl}-2-methoxybenzamide?
The CAS number of N-{5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1H-1,2,4-triazol-3-yl}-2-methoxybenzamide is 717892-06-3.
What is the molecular formula of N-{5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1H-1,2,4-triazol-3-yl}-2-methoxybenzamide?
The molecular formula of N-{5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1H-1,2,4-triazol-3-yl}-2-methoxybenzamide is C18H15N5O2S2.
What is the molecular weight of N-{5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1H-1,2,4-triazol-3-yl}-2-methoxybenzamide?
The molecular weight of N-{5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1H-1,2,4-triazol-3-yl}-2-methoxybenzamide is 397.07 g/mol.
Where can I buy N-{5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1H-1,2,4-triazol-3-yl}-2-methoxybenzamide?
You can request a quote for N-{5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1H-1,2,4-triazol-3-yl}-2-methoxybenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1H-1,2,4-triazol-3-yl}-2-methoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-{5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1H-1,2,4-triazol-3-yl}-2-methoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.