TL;DR: (E,4Z)-2-cyano-N-(1,3-thiazol-2-yl)-4-(1,3,3-trimethylindol-2-ylidene)but-2-enamide (CAS 1012997-87-3) is a chemical compound with molecular formula C19H18N4OS and molecular weight 350.12012 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E,4Z)-2-cyano-N-(1,3-thiazol-2-yl)-4-(1,3,3-trimethylindol-2-ylidene)but-2-enamide
Also Known As: (E,4Z)-2-cyano-N-(1,3-thiazol-2-yl)-4-(1,3,3-trimethylindol-2-ylidene)but-2-enamide, 2-cyano-N-(1,3-thiazol-2-yl)-4-(1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene)but-2-enamide
| Molecular Formula | C19H18N4OS |
| Molecular Weight | 350.12012 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 97.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 350.12012 Da |
| Heavy Atoms | 25 |
| Complexity | 645.0 |
| SMILES | CC\1(C2=CC=CC=C2N(/C1=C\C=C(/C#N)\C(=O)NC3=NC=CS3)C)C |
| InChIKey | MLRZYDYVLZBFDD-DLZYAPHWSA-N |
The XLogP value of 4.4 indicates that (E,4Z)-2-cyano-N-(1,3-thiazol-2-yl)-4-(1,3,3-trimethylindol-2-ylidene)but-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (E,4Z)-2-cyano-N-(1,3-thiazol-2-yl)-4-(1,3,3-trimethylindol-2-ylidene)but-2-enamide. Following Lipinski's Rule of Five, (E,4Z)-2-cyano-N-(1,3-thiazol-2-yl)-4-(1,3,3-trimethylindol-2-ylidene)but-2-enamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (E,4Z)-2-cyano-N-(1,3-thiazol-2-yl)-4-(1,3,3-trimethylindol-2-ylidene)but-2-enamide is 1012997-87-3.
The molecular formula of (E,4Z)-2-cyano-N-(1,3-thiazol-2-yl)-4-(1,3,3-trimethylindol-2-ylidene)but-2-enamide is C19H18N4OS.
The molecular weight of (E,4Z)-2-cyano-N-(1,3-thiazol-2-yl)-4-(1,3,3-trimethylindol-2-ylidene)but-2-enamide is 350.12012 g/mol.
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