TL;DR: 2-Cyano-3-thiophen-3-ylprop-2-enamide (CAS 1448583-31-0) is a chemical compound with molecular formula C8H6N2OS and molecular weight 178.02008 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-cyano-3-thiophen-3-ylprop-2-enamide
Also Known As: 2-cyano-3-(thiophen-3-yl)prop-2-enamide, 2-cyano-3-thiophen-3-ylprop-2-enamide, 2-cyano-3-thiophen-3-yl-prop-2-enamide
| Molecular Formula | C8H6N2OS |
| Molecular Weight | 178.02008 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 95.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.02008 Da |
| Heavy Atoms | 12 |
| Complexity | 263.0 |
| SMILES | C1=CSC=C1C=C(C#N)C(=O)N |
| InChIKey | ZXICRUZKUISQPW-UHFFFAOYSA-N |
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyano-3-thiophen-3-ylprop-2-enamide. The TPSA of 95.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Cyano-3-thiophen-3-ylprop-2-enamide. Following Lipinski's Rule of Five, 2-Cyano-3-thiophen-3-ylprop-2-enamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Cyano-3-thiophen-3-ylprop-2-enamide is 1448583-31-0.
The molecular formula of 2-Cyano-3-thiophen-3-ylprop-2-enamide is C8H6N2OS.
The molecular weight of 2-Cyano-3-thiophen-3-ylprop-2-enamide is 178.02008 g/mol.
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