TL;DR: 2-cyano-3-(5-{[(difluoromethyl)sulfanyl]methyl}furan-2-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide (CAS 1424626-47-0) is a chemical compound with molecular formula C13H9F2N3O2S2 and molecular weight 341.01044 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-2-cyano-3-[5-(difluoromethylsulfanylmethyl)furan-2-yl]-N-(1,3-thiazol-2-yl)prop-2-enamide
Also Known As: 2-cyano-3-(5-{[(difluoromethyl)sulfanyl]methyl}furan-2-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide, (E)-2-cyano-3-[5-(difluoromethylsulfanylmethyl)furan-2-yl]-N-(1,3-thiazol-2-yl)prop-2-enamide
| Molecular Formula | C13H9F2N3O2S2 |
| Molecular Weight | 341.01044 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 132.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 341.01044 Da |
| Heavy Atoms | 22 |
| Complexity | 481.0 |
| SMILES | C1=CSC(=N1)NC(=O)/C(=C/C2=CC=C(O2)CSC(F)F)/C#N |
| InChIKey | WUUFTMSMKDOIRN-VMPITWQZSA-N |
The XLogP value of 3.6 indicates that 2-cyano-3-(5-{[(difluoromethyl)sulfanyl]methyl}furan-2-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-cyano-3-(5-{[(difluoromethyl)sulfanyl]methyl}furan-2-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide. Following Lipinski's Rule of Five, 2-cyano-3-(5-{[(difluoromethyl)sulfanyl]methyl}furan-2-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-cyano-3-(5-{[(difluoromethyl)sulfanyl]methyl}furan-2-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide is 1424626-47-0.
The molecular formula of 2-cyano-3-(5-{[(difluoromethyl)sulfanyl]methyl}furan-2-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide is C13H9F2N3O2S2.
The molecular weight of 2-cyano-3-(5-{[(difluoromethyl)sulfanyl]methyl}furan-2-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide is 341.01044 g/mol.
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