TL;DR: 3-(4-{(Z)-[2-(2,6-dimethylmorpholin-4-yl)-4-oxo-1,3-thiazol-5(4H)-ylidene]methyl}-1-phenyl-1H-pyrazol-3-yl)-N,N-dimethylbenzenesulfonamide (CAS 1017495-93-0) is a chemical compound with molecular formula C27H29N5O4S2 and molecular weight 551.1661 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[4-[(Z)-[2-(2,6-dimethylmorpholin-4-yl)-4-oxo-1,3-thiazol-5-ylidene]methyl]-1-phenylpyrazol-3-yl]-N,N-dimethylbenzenesulfonamide
Also Known As: 3-(4-{(Z)-[2-(2,6-dimethylmorpholin-4-yl)-4-oxo-1,3-thiazol-5(4H)-ylidene]methyl}-1-phenyl-1H-pyrazol-3-yl)-N,N-dimethylbenzenesulfonamide, (Z)-3-(4-((2-(2,6-dimethylmorpholino)-4-oxothiazol-5(4H)-ylidene)methyl)-1-phenyl-1H-pyrazol-3-yl)-N,N-dimethylbenzenesulfonamide, 3-[4-[(Z)-[2-(2,6-dimethylmorpholin-4-yl)-4-oxo-1,3-thiazol-5-ylidene]methyl]-1-phenylpyrazol-3-yl]-N,N-dimethylbenzenesulfonamide
| Molecular Formula | C27H29N5O4S2 |
| Molecular Weight | 551.1661 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 131.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 551.1661 Da |
| Heavy Atoms | 38 |
| Complexity | 1030.0 |
| SMILES | CC1CN(CC(O1)C)C2=NC(=O)/C(=C/C3=CN(N=C3C4=CC(=CC=C4)S(=O)(=O)N(C)C)C5=CC=CC=C5)/S2 |
| InChIKey | YFUVGIFMSIQAEH-OYKKKHCWSA-N |
The XLogP value of 3.7 indicates that 3-(4-{(Z)-[2-(2,6-dimethylmorpholin-4-yl)-4-oxo-1,3-thiazol-5(4H)-ylidene]methyl}-1-phenyl-1H-pyrazol-3-yl)-N,N-dimethylbenzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-{(Z)-[2-(2,6-dimethylmorpholin-4-yl)-4-oxo-1,3-thiazol-5(4H)-ylidene]methyl}-1-phenyl-1H-pyrazol-3-yl)-N,N-dimethylbenzenesulfonamide. Following Lipinski's Rule of Five, 3-(4-{(Z)-[2-(2,6-dimethylmorpholin-4-yl)-4-oxo-1,3-thiazol-5(4H)-ylidene]methyl}-1-phenyl-1H-pyrazol-3-yl)-N,N-dimethylbenzenesulfonamide has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3-(4-{(Z)-[2-(2,6-dimethylmorpholin-4-yl)-4-oxo-1,3-thiazol-5(4H)-ylidene]methyl}-1-phenyl-1H-pyrazol-3-yl)-N,N-dimethylbenzenesulfonamide is 1017495-93-0.
The molecular formula of 3-(4-{(Z)-[2-(2,6-dimethylmorpholin-4-yl)-4-oxo-1,3-thiazol-5(4H)-ylidene]methyl}-1-phenyl-1H-pyrazol-3-yl)-N,N-dimethylbenzenesulfonamide is C27H29N5O4S2.
The molecular weight of 3-(4-{(Z)-[2-(2,6-dimethylmorpholin-4-yl)-4-oxo-1,3-thiazol-5(4H)-ylidene]methyl}-1-phenyl-1H-pyrazol-3-yl)-N,N-dimethylbenzenesulfonamide is 551.1661 g/mol.
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