![4-[5-(5-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1H-pyrazol-1-yl]benzenecarbonitrile structure](/static/products/956/956961-79-8.png)
4-[5-(5-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1H-pyrazol-1-yl]benzenecarbonitrile
TL;DR: 4-[5-(5-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1H-pyrazol-1-yl]benzenecarbonitrile (CAS 956961-79-8) is a chemical compound with molecular formula C16H11N5OS and molecular weight 321.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)pyrazol-1-yl]benzonitrile
Also Known As: 4-[5-(5-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1H-pyrazol-1-yl]benzenecarbonitrile, 4-(5-{5-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl}-1H-pyrazol-1-yl)benzonitrile, 4-[5-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)pyrazol-1-yl]benzonitrile, 4-(5-{5-oxo-2H,3H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl}pyrazol-1-yl)benzonitrile, 4-[5-(5-oxo-2,3-dihydrothiazolo[3,2-a]pyrimidin-6-yl)pyrazol-1-yl]benzonitrile
| Molecular Formula | C16H11N5OS |
|---|---|
| Molecular Weight | 321.07 g/mol |
| LogP | 2.07338 |
| Topological Polar Surface Area | 76.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 321.06842 |
| Heavy Atoms | 23 |
| Complexity | 980.94055 |
Chemical Identifiers
| CAS Number | 956961-79-8 |
|---|---|
| SMILES | C1CSC2=NC=C(C(=O)N21)C3=CC=NN3C4=CC=C(C=C4)C#N |
Product Overview
4-[5-(5-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1H-pyrazol-1-yl]benzenecarbonitrile (CAS 956961-79-8), with molecular formula C16H11N5OS and molecular weight 321.07 g/mol. IUPAC: 4-[5-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)pyrazol-1-yl]benzonitrile.
Chemical Property Profile of 4-[5-(5-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1H-pyrazol-1-yl]benzenecarbonitrile
Property Insights of 4-[5-(5-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1H-pyrazol-1-yl]benzenecarbonitrile
The XLogP value of 2.07338 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[5-(5-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1H-pyrazol-1-yl]benzenecarbonitrile. The TPSA of 76.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[5-(5-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1H-pyrazol-1-yl]benzenecarbonitrile. Following Lipinski's Rule of Five, 4-[5-(5-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1H-pyrazol-1-yl]benzenecarbonitrile has 0 hydrogen bond donor(s) and 5 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-[5-(5-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1H-pyrazol-1-yl]benzenecarbonitrile?
The CAS number of 4-[5-(5-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1H-pyrazol-1-yl]benzenecarbonitrile is 956961-79-8.
What is the molecular formula of 4-[5-(5-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1H-pyrazol-1-yl]benzenecarbonitrile?
The molecular formula of 4-[5-(5-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1H-pyrazol-1-yl]benzenecarbonitrile is C16H11N5OS.
What is the molecular weight of 4-[5-(5-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1H-pyrazol-1-yl]benzenecarbonitrile?
The molecular weight of 4-[5-(5-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1H-pyrazol-1-yl]benzenecarbonitrile is 321.07 g/mol.
Where can I buy 4-[5-(5-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1H-pyrazol-1-yl]benzenecarbonitrile?
You can request a quote for 4-[5-(5-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1H-pyrazol-1-yl]benzenecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[5-(5-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1H-pyrazol-1-yl]benzenecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[5-(5-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1H-pyrazol-1-yl]benzenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.