![Methyl 1-[4-cyano-5-(methylamino)-1,2-thiazol-3-yl]piperidine-4-carboxylate structure](/static/products/3384/338422-53-0.webp)
Methyl 1-[4-cyano-5-(methylamino)-1,2-thiazol-3-yl]piperidine-4-carboxylate
TL;DR: Methyl 1-[4-cyano-5-(methylamino)-1,2-thiazol-3-yl]piperidine-4-carboxylate (CAS 338422-53-0) is a chemical compound with molecular formula C12H16N4O2S and molecular weight 280.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-[4-cyano-5-(methylamino)-1,2-thiazol-3-yl]piperidine-4-carboxylate
Also Known As: methyl 1-[4-cyano-5-(methylamino)-1,2-thiazol-3-yl]piperidine-4-carboxylate, 4H-935, methyl 1-[4-cyano-5-(methylamino)-3-isothiazolyl]-4-piperidinecarboxylate, Methyl 1-[4-cyano-5-(methylamino)-3- isothiazolyl]-4-piperidinecarboxylate, methyl 1-[4-cyano-5-(methylamino)isothiazol-3-yl]piperidine-4-carboxylate
| Molecular Formula | C12H16N4O2S |
|---|---|
| Molecular Weight | 280.10 g/mol |
| LogP | 1.44588 |
| Topological Polar Surface Area | 78.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.0994 |
| Heavy Atoms | 19 |
| Complexity | 500.31793 |
Chemical Identifiers
| CAS Number | 338422-53-0 |
|---|---|
| SMILES | CNC1=C(C(=NS1)N2CCC(CC2)C(=O)OC)C#N |
Product Overview
Methyl 1-[4-cyano-5-(methylamino)-1,2-thiazol-3-yl]piperidine-4-carboxylate (CAS 338422-53-0), with molecular formula C12H16N4O2S and molecular weight 280.10 g/mol. IUPAC: methyl 1-[4-cyano-5-(methylamino)-1,2-thiazol-3-yl]piperidine-4-carboxylate.
Chemical Property Profile of Methyl 1-[4-cyano-5-(methylamino)-1,2-thiazol-3-yl]piperidine-4-carboxylate
Property Insights of Methyl 1-[4-cyano-5-(methylamino)-1,2-thiazol-3-yl]piperidine-4-carboxylate
The XLogP value of 1.44588 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1-[4-cyano-5-(methylamino)-1,2-thiazol-3-yl]piperidine-4-carboxylate. The TPSA of 78.25 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 1-[4-cyano-5-(methylamino)-1,2-thiazol-3-yl]piperidine-4-carboxylate. Following Lipinski's Rule of Five, Methyl 1-[4-cyano-5-(methylamino)-1,2-thiazol-3-yl]piperidine-4-carboxylate has 1 hydrogen bond donor(s) and 7 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 Methyl 1-[4-cyano-5-(methylamino)-1,2-thiazol-3-yl]piperidine-4-carboxylate?
The CAS number of Methyl 1-[4-cyano-5-(methylamino)-1,2-thiazol-3-yl]piperidine-4-carboxylate is 338422-53-0.
What is the molecular formula of Methyl 1-[4-cyano-5-(methylamino)-1,2-thiazol-3-yl]piperidine-4-carboxylate?
The molecular formula of Methyl 1-[4-cyano-5-(methylamino)-1,2-thiazol-3-yl]piperidine-4-carboxylate is C12H16N4O2S.
What is the molecular weight of Methyl 1-[4-cyano-5-(methylamino)-1,2-thiazol-3-yl]piperidine-4-carboxylate?
The molecular weight of Methyl 1-[4-cyano-5-(methylamino)-1,2-thiazol-3-yl]piperidine-4-carboxylate is 280.10 g/mol.
Where can I buy Methyl 1-[4-cyano-5-(methylamino)-1,2-thiazol-3-yl]piperidine-4-carboxylate?
You can request a quote for Methyl 1-[4-cyano-5-(methylamino)-1,2-thiazol-3-yl]piperidine-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 1-[4-cyano-5-(methylamino)-1,2-thiazol-3-yl]piperidine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1-[4-cyano-5-(methylamino)-1,2-thiazol-3-yl]piperidine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.