4-(1,3-Benzothiazol-2-yl)-1,2,5-oxadiazol-3-amine
TL;DR: 4-(1,3-Benzothiazol-2-yl)-1,2,5-oxadiazol-3-amine (CAS 346646-10-4) is a chemical compound with molecular formula C9H6N4OS and molecular weight 218.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzothiazol-2-yl)-1,2,5-oxadiazol-3-amine
Also Known As: 4-(1,3-benzothiazol-2-yl)-1,2,5-oxadiazol-3-amine, 4-(Benzo[d]thiazol-2-yl)-1,2,5-oxadiazol-3-amine, Furazan-3-amine, 4-(2-benzothiazolyl)-, 4-benzothiazol-2-yl-1,2,5-oxadiazole-3-ylamine, 1,2,5-Oxadiazol-3-amine,4-(2-benzothiazolyl)-(9CI)
| Molecular Formula | C9H6N4OS |
|---|---|
| Molecular Weight | 218.03 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 218.02623 |
| Heavy Atoms | 15 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 346646-10-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)C3=NON=C3N |
| InChIKey | CHYSPVKAQRTANZ-UHFFFAOYSA-N |
Product Overview
4-(1,3-Benzothiazol-2-yl)-1,2,5-oxadiazol-3-amine (CAS 346646-10-4), with molecular formula C9H6N4OS and molecular weight 218.03 g/mol. IUPAC: 4-(1,3-benzothiazol-2-yl)-1,2,5-oxadiazol-3-amine.
Chemical Property Profile of 4-(1,3-Benzothiazol-2-yl)-1,2,5-oxadiazol-3-amine
Property Insights of 4-(1,3-Benzothiazol-2-yl)-1,2,5-oxadiazol-3-amine
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1,3-Benzothiazol-2-yl)-1,2,5-oxadiazol-3-amine. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1,3-Benzothiazol-2-yl)-1,2,5-oxadiazol-3-amine. Following Lipinski's Rule of Five, 4-(1,3-Benzothiazol-2-yl)-1,2,5-oxadiazol-3-amine has 1 hydrogen bond donor(s) and 6 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 4-(1,3-Benzothiazol-2-yl)-1,2,5-oxadiazol-3-amine?
The CAS number of 4-(1,3-Benzothiazol-2-yl)-1,2,5-oxadiazol-3-amine is 346646-10-4.
What is the molecular formula of 4-(1,3-Benzothiazol-2-yl)-1,2,5-oxadiazol-3-amine?
The molecular formula of 4-(1,3-Benzothiazol-2-yl)-1,2,5-oxadiazol-3-amine is C9H6N4OS.
What is the molecular weight of 4-(1,3-Benzothiazol-2-yl)-1,2,5-oxadiazol-3-amine?
The molecular weight of 4-(1,3-Benzothiazol-2-yl)-1,2,5-oxadiazol-3-amine is 218.03 g/mol.
Where can I buy 4-(1,3-Benzothiazol-2-yl)-1,2,5-oxadiazol-3-amine?
You can request a quote for 4-(1,3-Benzothiazol-2-yl)-1,2,5-oxadiazol-3-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,3-Benzothiazol-2-yl)-1,2,5-oxadiazol-3-amine?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-Benzothiazol-2-yl)-1,2,5-oxadiazol-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.