2-Amino-4-methyl-5-(piperidin-1-ylcarbonyl)thiophene-3-carbonitrile
TL;DR: 2-Amino-4-methyl-5-(piperidin-1-ylcarbonyl)thiophene-3-carbonitrile (CAS 313971-49-2) is a chemical compound with molecular formula C12H15N3OS and molecular weight 249.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-methyl-5-(piperidine-1-carbonyl)thiophene-3-carbonitrile
Also Known As: ChemDiv2_000124, 2-amino-4-methyl-5-(piperidine-1-carbonyl)thiophene-3-carbonitrile, ZERO/001444, 2-amino-4-methyl-5-(piperidin-1-ylcarbonyl)thiophene-3-carbonitrile, 2-Amino-4-methyl-5-(piperidinocarbonyl)thiophene-3-carbonitrile
| Molecular Formula | C12H15N3OS |
|---|---|
| Molecular Weight | 249.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 98.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 249.09358 |
| Heavy Atoms | 17 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 313971-49-2 |
|---|---|
| SMILES | CC1=C(SC(=C1C#N)N)C(=O)N2CCCCC2 |
| InChIKey | QSJXXHXNTUWPBL-UHFFFAOYSA-N |
Product Overview
2-Amino-4-methyl-5-(piperidin-1-ylcarbonyl)thiophene-3-carbonitrile (CAS 313971-49-2), with molecular formula C12H15N3OS and molecular weight 249.09 g/mol. IUPAC: 2-amino-4-methyl-5-(piperidine-1-carbonyl)thiophene-3-carbonitrile.
Chemical Property Profile of 2-Amino-4-methyl-5-(piperidin-1-ylcarbonyl)thiophene-3-carbonitrile
Property Insights of 2-Amino-4-methyl-5-(piperidin-1-ylcarbonyl)thiophene-3-carbonitrile
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-4-methyl-5-(piperidin-1-ylcarbonyl)thiophene-3-carbonitrile. The TPSA of 98.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-4-methyl-5-(piperidin-1-ylcarbonyl)thiophene-3-carbonitrile. Following Lipinski's Rule of Five, 2-Amino-4-methyl-5-(piperidin-1-ylcarbonyl)thiophene-3-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 2-Amino-4-methyl-5-(piperidin-1-ylcarbonyl)thiophene-3-carbonitrile?
The CAS number of 2-Amino-4-methyl-5-(piperidin-1-ylcarbonyl)thiophene-3-carbonitrile is 313971-49-2.
What is the molecular formula of 2-Amino-4-methyl-5-(piperidin-1-ylcarbonyl)thiophene-3-carbonitrile?
The molecular formula of 2-Amino-4-methyl-5-(piperidin-1-ylcarbonyl)thiophene-3-carbonitrile is C12H15N3OS.
What is the molecular weight of 2-Amino-4-methyl-5-(piperidin-1-ylcarbonyl)thiophene-3-carbonitrile?
The molecular weight of 2-Amino-4-methyl-5-(piperidin-1-ylcarbonyl)thiophene-3-carbonitrile is 249.09 g/mol.
Where can I buy 2-Amino-4-methyl-5-(piperidin-1-ylcarbonyl)thiophene-3-carbonitrile?
You can request a quote for 2-Amino-4-methyl-5-(piperidin-1-ylcarbonyl)thiophene-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-4-methyl-5-(piperidin-1-ylcarbonyl)thiophene-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-4-methyl-5-(piperidin-1-ylcarbonyl)thiophene-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.