5-Amino-3-methyl-1,2-thiazole-4-carbonitrile
TL;DR: 5-Amino-3-methyl-1,2-thiazole-4-carbonitrile (CAS 41808-35-9) is a chemical compound with molecular formula C5H5N3S and molecular weight 139.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-3-methyl-1,2-thiazole-4-carbonitrile
Also Known As: 5-Amino-3-methyl-isothiazole-4-carbonitrile, 5-amino-3-methylisothiazole-4-carbonitrile, 5-amino-4-cyano-3-methylisothiazole, 5-amino-3-methyl-1,2-thiazole-4-carbonitrile, 5-amino-4-cyano-3-methyl isothiazole
| Molecular Formula | C5H5N3S |
|---|---|
| Molecular Weight | 139.02 g/mol |
| LogP | 0.9054 |
| Topological Polar Surface Area | 62.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 139.02042 |
| Heavy Atoms | 9 |
| Complexity | 238.15709 |
Chemical Identifiers
| CAS Number | 41808-35-9 |
|---|---|
| SMILES | CC1=NSC(=C1C#N)N |
Product Overview
5-Amino-3-methyl-1,2-thiazole-4-carbonitrile (CAS 41808-35-9), with molecular formula C5H5N3S and molecular weight 139.02 g/mol. IUPAC: 5-amino-3-methyl-1,2-thiazole-4-carbonitrile.
Chemical Property Profile of 5-Amino-3-methyl-1,2-thiazole-4-carbonitrile
Property Insights of 5-Amino-3-methyl-1,2-thiazole-4-carbonitrile
The XLogP value of 0.9054 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Amino-3-methyl-1,2-thiazole-4-carbonitrile. The TPSA of 62.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Amino-3-methyl-1,2-thiazole-4-carbonitrile. Following Lipinski's Rule of Five, 5-Amino-3-methyl-1,2-thiazole-4-carbonitrile has 1 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 5-Amino-3-methyl-1,2-thiazole-4-carbonitrile?
The CAS number of 5-Amino-3-methyl-1,2-thiazole-4-carbonitrile is 41808-35-9.
What is the molecular formula of 5-Amino-3-methyl-1,2-thiazole-4-carbonitrile?
The molecular formula of 5-Amino-3-methyl-1,2-thiazole-4-carbonitrile is C5H5N3S.
What is the molecular weight of 5-Amino-3-methyl-1,2-thiazole-4-carbonitrile?
The molecular weight of 5-Amino-3-methyl-1,2-thiazole-4-carbonitrile is 139.02 g/mol.
Where can I buy 5-Amino-3-methyl-1,2-thiazole-4-carbonitrile?
You can request a quote for 5-Amino-3-methyl-1,2-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 5-Amino-3-methyl-1,2-thiazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Amino-3-methyl-1,2-thiazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.