5-(Methylamino)-3-morpholino-4-isothiazolecarbonitrile
TL;DR: 5-(Methylamino)-3-morpholino-4-isothiazolecarbonitrile (CAS 338422-41-6) is a chemical compound with molecular formula C9H12N4OS and molecular weight 224.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(methylamino)-3-morpholin-4-yl-1,2-thiazole-4-carbonitrile
Also Known As: 5-(methylamino)-3-morpholino-4-isothiazolecarbonitrile, 5-(Methylamino)-3-morpholinoisothiazole-4-carbonitrile, 0717AE, 5-(methylamino)-3-morpholin-4-yl-1,2-thiazole-4-carbonitrile, methylaminomorpholinoisothiazolecarbonitrile
| Molecular Formula | C9H12N4OS |
|---|---|
| Molecular Weight | 224.07 g/mol |
| LogP | 0.89308 |
| Topological Polar Surface Area | 61.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.07318 |
| Heavy Atoms | 15 |
| Complexity | 377.9543 |
Chemical Identifiers
| CAS Number | 338422-41-6 |
|---|---|
| SMILES | CNC1=C(C(=NS1)N2CCOCC2)C#N |
Product Overview
5-(Methylamino)-3-morpholino-4-isothiazolecarbonitrile (CAS 338422-41-6), with molecular formula C9H12N4OS and molecular weight 224.07 g/mol. IUPAC: 5-(methylamino)-3-morpholin-4-yl-1,2-thiazole-4-carbonitrile.
Chemical Property Profile of 5-(Methylamino)-3-morpholino-4-isothiazolecarbonitrile
Property Insights of 5-(Methylamino)-3-morpholino-4-isothiazolecarbonitrile
The XLogP value of 0.89308 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Methylamino)-3-morpholino-4-isothiazolecarbonitrile. The TPSA of 61.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Methylamino)-3-morpholino-4-isothiazolecarbonitrile. Following Lipinski's Rule of Five, 5-(Methylamino)-3-morpholino-4-isothiazolecarbonitrile 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 5-(Methylamino)-3-morpholino-4-isothiazolecarbonitrile?
The CAS number of 5-(Methylamino)-3-morpholino-4-isothiazolecarbonitrile is 338422-41-6.
What is the molecular formula of 5-(Methylamino)-3-morpholino-4-isothiazolecarbonitrile?
The molecular formula of 5-(Methylamino)-3-morpholino-4-isothiazolecarbonitrile is C9H12N4OS.
What is the molecular weight of 5-(Methylamino)-3-morpholino-4-isothiazolecarbonitrile?
The molecular weight of 5-(Methylamino)-3-morpholino-4-isothiazolecarbonitrile is 224.07 g/mol.
Where can I buy 5-(Methylamino)-3-morpholino-4-isothiazolecarbonitrile?
You can request a quote for 5-(Methylamino)-3-morpholino-4-isothiazolecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Methylamino)-3-morpholino-4-isothiazolecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-(Methylamino)-3-morpholino-4-isothiazolecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.