2-Pyridin-3-yl-1,3-thiazole-4-carbonitrile
TL;DR: 2-Pyridin-3-yl-1,3-thiazole-4-carbonitrile (CAS 685120-98-3) is a chemical compound with molecular formula C9H5N3S and molecular weight 187.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-pyridin-3-yl-1,3-thiazole-4-carbonitrile
Also Known As: 2-(pyridin-3-yl)thiazole-4-carbonitrile, 2-pyridin-3-yl-1,3-thiazole-4-carbonitrile, 4-Thiazolecarbonitrile, 2-(3-pyridinyl)-, 2-(pyridin-3-yl)-1,3-thiazole-4-carbonitrile
| Molecular Formula | C9H5N3S |
|---|---|
| Molecular Weight | 187.02 g/mol |
| LogP | 2.07678 |
| Topological Polar Surface Area | 49.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 187.02042 |
| Heavy Atoms | 13 |
| Complexity | 441.38342 |
Chemical Identifiers
| CAS Number | 685120-98-3 |
|---|---|
| SMILES | C1=CC(=CN=C1)C2=NC(=CS2)C#N |
Product Overview
2-Pyridin-3-yl-1,3-thiazole-4-carbonitrile (CAS 685120-98-3), with molecular formula C9H5N3S and molecular weight 187.02 g/mol. IUPAC: 2-pyridin-3-yl-1,3-thiazole-4-carbonitrile.
Chemical Property Profile of 2-Pyridin-3-yl-1,3-thiazole-4-carbonitrile
Property Insights of 2-Pyridin-3-yl-1,3-thiazole-4-carbonitrile
The XLogP value of 2.07678 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Pyridin-3-yl-1,3-thiazole-4-carbonitrile. With a topological polar surface area (TPSA) of 49.57 Ų, 2-Pyridin-3-yl-1,3-thiazole-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pyridin-3-yl-1,3-thiazole-4-carbonitrile has 0 hydrogen bond donor(s) and 4 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 2-Pyridin-3-yl-1,3-thiazole-4-carbonitrile?
The CAS number of 2-Pyridin-3-yl-1,3-thiazole-4-carbonitrile is 685120-98-3.
What is the molecular formula of 2-Pyridin-3-yl-1,3-thiazole-4-carbonitrile?
The molecular formula of 2-Pyridin-3-yl-1,3-thiazole-4-carbonitrile is C9H5N3S.
What is the molecular weight of 2-Pyridin-3-yl-1,3-thiazole-4-carbonitrile?
The molecular weight of 2-Pyridin-3-yl-1,3-thiazole-4-carbonitrile is 187.02 g/mol.
Where can I buy 2-Pyridin-3-yl-1,3-thiazole-4-carbonitrile?
You can request a quote for 2-Pyridin-3-yl-1,3-thiazole-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Pyridin-3-yl-1,3-thiazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Pyridin-3-yl-1,3-thiazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.