TL;DR: (2Z)-2-{[3-(furan-2-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-(4-methylbenzyl)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione (CAS 1009187-68-1) is a chemical compound with molecular formula C27H19N5O3S and molecular weight 493.12085 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2Z)-2-[[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylidene]-6-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
Also Known As: (2Z)-2-{[3-(furan-2-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-(4-methylbenzyl)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione, (2Z)-2-[[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylidene]-6-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione, (2Z)-2-{[3-(FURAN-2-YL)-1-PHENYL-1H-PYRAZOL-4-YL]METHYLIDENE}-6-[(4-METHYLPHENYL)METHYL]-2H,3H,7H-[1,3]THIAZOLO[3,2-B][1,2,4]TRIAZINE-3,7-DIONE, (Z)-2-((3-(furan-2-yl)-1-phenyl-1H-pyrazol-4-yl)methylene)-6-(4-methylbenzyl)-2H-thiazolo[3,2-b][1,2,4]triazine-3,7-dione
| Molecular Formula | C27H19N5O3S |
| Molecular Weight | 493.12085 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 493.12085 Da |
| Heavy Atoms | 36 |
| Complexity | 966.0 |
| SMILES | CC1=CC=C(C=C1)CC2=NN3C(=O)/C(=C/C4=CN(N=C4C5=CC=CO5)C6=CC=CC=C6)/SC3=NC2=O |
| InChIKey | DYEUOEXHQHOAMO-HAHDFKILSA-N |
The XLogP value of 4.9 indicates that (2Z)-2-{[3-(furan-2-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-(4-methylbenzyl)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2Z)-2-{[3-(furan-2-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-(4-methylbenzyl)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione. Following Lipinski's Rule of Five, (2Z)-2-{[3-(furan-2-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-(4-methylbenzyl)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (2Z)-2-{[3-(furan-2-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-(4-methylbenzyl)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione is 1009187-68-1.
The molecular formula of (2Z)-2-{[3-(furan-2-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-(4-methylbenzyl)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione is C27H19N5O3S.
The molecular weight of (2Z)-2-{[3-(furan-2-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-(4-methylbenzyl)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione is 493.12085 g/mol.
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