TL;DR: 5-((4-bromophenyl)(3,5-dimethylpiperidin-1-yl)methyl)-2-methylthiazolo[3,2-b][1,2,4]triazol-6-ol (CAS 1023861-25-7) is a chemical compound with molecular formula C19H23BrN4OS and molecular weight 434.0776 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[(4-bromophenyl)-(3,5-dimethylpiperidin-1-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
Also Known As: 5-((4-bromophenyl)(3,5-dimethylpiperidin-1-yl)methyl)-2-methylthiazolo[3,2-b][1,2,4]triazol-6-ol, 5-[(4-bromophenyl)-(3,5-dimethylpiperidin-1-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol, F0631-0099, 5-[(4-bromophenyl)(3,5-dimethylpiperidin-1-yl)methyl]-2-methyl-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-ol
| Molecular Formula | C19H23BrN4OS |
| Molecular Weight | 434.0776 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 81.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 434.0776 Da |
| Heavy Atoms | 26 |
| Complexity | 482.0 |
| SMILES | CC1CC(CN(C1)C(C2=CC=C(C=C2)Br)C3=C(N4C(=NC(=N4)C)S3)O)C |
| InChIKey | BFGPWIUEHZHZRY-UHFFFAOYSA-N |
The XLogP value of 5.2 indicates that 5-((4-bromophenyl)(3,5-dimethylpiperidin-1-yl)methyl)-2-methylthiazolo[3,2-b][1,2,4]triazol-6-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-((4-bromophenyl)(3,5-dimethylpiperidin-1-yl)methyl)-2-methylthiazolo[3,2-b][1,2,4]triazol-6-ol. Following Lipinski's Rule of Five, 5-((4-bromophenyl)(3,5-dimethylpiperidin-1-yl)methyl)-2-methylthiazolo[3,2-b][1,2,4]triazol-6-ol has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 5-((4-bromophenyl)(3,5-dimethylpiperidin-1-yl)methyl)-2-methylthiazolo[3,2-b][1,2,4]triazol-6-ol is 1023861-25-7.
The molecular formula of 5-((4-bromophenyl)(3,5-dimethylpiperidin-1-yl)methyl)-2-methylthiazolo[3,2-b][1,2,4]triazol-6-ol is C19H23BrN4OS.
The molecular weight of 5-((4-bromophenyl)(3,5-dimethylpiperidin-1-yl)methyl)-2-methylthiazolo[3,2-b][1,2,4]triazol-6-ol is 434.0776 g/mol.
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