![4-{2-[(5-Methoxy-1,3-benzothiazol-2-yl)amino]-1,3-thiazol-4-yl}benzonitrile structure](/static/products/890/890945-37-6.png)
4-{2-[(5-Methoxy-1,3-benzothiazol-2-yl)amino]-1,3-thiazol-4-yl}benzonitrile
TL;DR: 4-{2-[(5-Methoxy-1,3-benzothiazol-2-yl)amino]-1,3-thiazol-4-yl}benzonitrile (CAS 890945-37-6) is a chemical compound with molecular formula C18H12N4OS2 and molecular weight 364.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[(5-methoxy-1,3-benzothiazol-2-yl)amino]-1,3-thiazol-4-yl]benzonitrile
Also Known As: 4-{2-[(5-methoxy-1,3-benzothiazol-2-yl)amino]-1,3-thiazol-4-yl}benzonitrile, F2020-0197, 4-(2-((5-methoxybenzo[d]thiazol-2-yl)amino)thiazol-4-yl)benzonitrile, 4-[2-[(5-methoxy-1,3-benzothiazol-2-yl)amino]-1,3-thiazol-4-yl]benzonitrile
| Molecular Formula | C18H12N4OS2 |
|---|---|
| Molecular Weight | 364.05 g/mol |
| LogP | 5.04368 |
| Topological Polar Surface Area | 70.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 364.04526 |
| Heavy Atoms | 25 |
| Complexity | 1076.6008 |
Chemical Identifiers
| CAS Number | 890945-37-6 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)SC(=N2)NC3=NC(=CS3)C4=CC=C(C=C4)C#N |
Product Overview
4-{2-[(5-Methoxy-1,3-benzothiazol-2-yl)amino]-1,3-thiazol-4-yl}benzonitrile (CAS 890945-37-6), with molecular formula C18H12N4OS2 and molecular weight 364.05 g/mol. IUPAC: 4-[2-[(5-methoxy-1,3-benzothiazol-2-yl)amino]-1,3-thiazol-4-yl]benzonitrile.
Chemical Property Profile of 4-{2-[(5-Methoxy-1,3-benzothiazol-2-yl)amino]-1,3-thiazol-4-yl}benzonitrile
Property Insights of 4-{2-[(5-Methoxy-1,3-benzothiazol-2-yl)amino]-1,3-thiazol-4-yl}benzonitrile
The XLogP value of 5.04368 indicates that 4-{2-[(5-Methoxy-1,3-benzothiazol-2-yl)amino]-1,3-thiazol-4-yl}benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{2-[(5-Methoxy-1,3-benzothiazol-2-yl)amino]-1,3-thiazol-4-yl}benzonitrile. Following Lipinski's Rule of Five, 4-{2-[(5-Methoxy-1,3-benzothiazol-2-yl)amino]-1,3-thiazol-4-yl}benzonitrile 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 4-{2-[(5-Methoxy-1,3-benzothiazol-2-yl)amino]-1,3-thiazol-4-yl}benzonitrile?
The CAS number of 4-{2-[(5-Methoxy-1,3-benzothiazol-2-yl)amino]-1,3-thiazol-4-yl}benzonitrile is 890945-37-6.
What is the molecular formula of 4-{2-[(5-Methoxy-1,3-benzothiazol-2-yl)amino]-1,3-thiazol-4-yl}benzonitrile?
The molecular formula of 4-{2-[(5-Methoxy-1,3-benzothiazol-2-yl)amino]-1,3-thiazol-4-yl}benzonitrile is C18H12N4OS2.
What is the molecular weight of 4-{2-[(5-Methoxy-1,3-benzothiazol-2-yl)amino]-1,3-thiazol-4-yl}benzonitrile?
The molecular weight of 4-{2-[(5-Methoxy-1,3-benzothiazol-2-yl)amino]-1,3-thiazol-4-yl}benzonitrile is 364.05 g/mol.
Where can I buy 4-{2-[(5-Methoxy-1,3-benzothiazol-2-yl)amino]-1,3-thiazol-4-yl}benzonitrile?
You can request a quote for 4-{2-[(5-Methoxy-1,3-benzothiazol-2-yl)amino]-1,3-thiazol-4-yl}benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{2-[(5-Methoxy-1,3-benzothiazol-2-yl)amino]-1,3-thiazol-4-yl}benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-{2-[(5-Methoxy-1,3-benzothiazol-2-yl)amino]-1,3-thiazol-4-yl}benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.