4-methyl-N-(1-pyridin-2-ylethylideneamino)piperazine-1-carbothioamide
TL;DR: 4-methyl-N-(1-pyridin-2-ylethylideneamino)piperazine-1-carbothioamide (CAS 71555-48-1) is a chemical compound with molecular formula C13H19N5S and molecular weight 277.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-N-(1-pyridin-2-ylethylideneamino)piperazine-1-carbothioamide
Also Known As: 4-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]piperazine-1-c, 4-methyl-N-(1-pyridin-2-ylethylideneamino)piperazine-1-carbothioamide
| Molecular Formula | C13H19N5S |
|---|---|
| Molecular Weight | 277.14 g/mol |
| LogP | 0.9275 |
| Topological Polar Surface Area | 43.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 277.1361 |
| Heavy Atoms | 19 |
| Complexity | 451.3612 |
Chemical Identifiers
| CAS Number | 71555-48-1 |
|---|---|
| SMILES | CC(=NNC(=S)N1CCN(CC1)C)C2=CC=CC=N2 |
Product Overview
4-methyl-N-(1-pyridin-2-ylethylideneamino)piperazine-1-carbothioamide (CAS 71555-48-1), with molecular formula C13H19N5S and molecular weight 277.14 g/mol. IUPAC: 4-methyl-N-(1-pyridin-2-ylethylideneamino)piperazine-1-carbothioamide.
Chemical Property Profile of 4-methyl-N-(1-pyridin-2-ylethylideneamino)piperazine-1-carbothioamide
Property Insights of 4-methyl-N-(1-pyridin-2-ylethylideneamino)piperazine-1-carbothioamide
The XLogP value of 0.9275 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-methyl-N-(1-pyridin-2-ylethylideneamino)piperazine-1-carbothioamide. With a topological polar surface area (TPSA) of 43.76 Ų, 4-methyl-N-(1-pyridin-2-ylethylideneamino)piperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-methyl-N-(1-pyridin-2-ylethylideneamino)piperazine-1-carbothioamide 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 4-methyl-N-(1-pyridin-2-ylethylideneamino)piperazine-1-carbothioamide?
The CAS number of 4-methyl-N-(1-pyridin-2-ylethylideneamino)piperazine-1-carbothioamide is 71555-48-1.
What is the molecular formula of 4-methyl-N-(1-pyridin-2-ylethylideneamino)piperazine-1-carbothioamide?
The molecular formula of 4-methyl-N-(1-pyridin-2-ylethylideneamino)piperazine-1-carbothioamide is C13H19N5S.
What is the molecular weight of 4-methyl-N-(1-pyridin-2-ylethylideneamino)piperazine-1-carbothioamide?
The molecular weight of 4-methyl-N-(1-pyridin-2-ylethylideneamino)piperazine-1-carbothioamide is 277.14 g/mol.
Where can I buy 4-methyl-N-(1-pyridin-2-ylethylideneamino)piperazine-1-carbothioamide?
You can request a quote for 4-methyl-N-(1-pyridin-2-ylethylideneamino)piperazine-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methyl-N-(1-pyridin-2-ylethylideneamino)piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-N-(1-pyridin-2-ylethylideneamino)piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.