N-(3-cyanophenyl)-4-ethyl-1,2,3-thiadiazole-5-carboxamide
TL;DR: N-(3-cyanophenyl)-4-ethyl-1,2,3-thiadiazole-5-carboxamide (CAS 1110886-07-1) is a chemical compound with molecular formula C12H10N4OS and molecular weight 258.05753 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(3-cyanophenyl)-4-ethylthiadiazole-5-carboxamide
Also Known As: N-(3-cyanophenyl)-4-ethyl-1,2,3-thiadiazole-5-carboxamide, N-(3-cyanophenyl)-4-ethylthiadiazole-5-carboxamide
Technical Specifications
| Molecular Formula | C12H10N4OS |
| Molecular Weight | 258.05753 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.05753 Da |
| Heavy Atoms | 18 |
| Complexity | 353.0 |
| SMILES | CCC1=C(SN=N1)C(=O)NC2=CC=CC(=C2)C#N |
| InChIKey | JONRURYUPSANQX-UHFFFAOYSA-N |
Chemical Property Profile of N-(3-cyanophenyl)-4-ethyl-1,2,3-thiadiazole-5-carboxamide
Property Insights of N-(3-cyanophenyl)-4-ethyl-1,2,3-thiadiazole-5-carboxamide
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-cyanophenyl)-4-ethyl-1,2,3-thiadiazole-5-carboxamide. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-cyanophenyl)-4-ethyl-1,2,3-thiadiazole-5-carboxamide. Following Lipinski's Rule of Five, N-(3-cyanophenyl)-4-ethyl-1,2,3-thiadiazole-5-carboxamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-(3-cyanophenyl)-4-ethyl-1,2,3-thiadiazole-5-carboxamide?
The CAS number of N-(3-cyanophenyl)-4-ethyl-1,2,3-thiadiazole-5-carboxamide is 1110886-07-1.
What is the molecular formula of N-(3-cyanophenyl)-4-ethyl-1,2,3-thiadiazole-5-carboxamide?
The molecular formula of N-(3-cyanophenyl)-4-ethyl-1,2,3-thiadiazole-5-carboxamide is C12H10N4OS.
What is the molecular weight of N-(3-cyanophenyl)-4-ethyl-1,2,3-thiadiazole-5-carboxamide?
The molecular weight of N-(3-cyanophenyl)-4-ethyl-1,2,3-thiadiazole-5-carboxamide is 258.05753 g/mol.
Where can I buy N-(3-cyanophenyl)-4-ethyl-1,2,3-thiadiazole-5-carboxamide?
You can request a quote for N-(3-cyanophenyl)-4-ethyl-1,2,3-thiadiazole-5-carboxamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(3-cyanophenyl)-4-ethyl-1,2,3-thiadiazole-5-carboxamide?
Yes, CoreyChem provides custom synthesis services for N-(3-cyanophenyl)-4-ethyl-1,2,3-thiadiazole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.