TL;DR: 2-methyl-5-((4-methylpiperazin-1-yl)(phenyl)methyl)thiazolo[3,2-b][1,2,4]triazol-6-ol (CAS 162661-12-3) is a chemical compound with molecular formula C17H21N5OS and molecular weight 343.14667 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-5-[(4-methylpiperazin-1-yl)-phenylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
Also Known As: 2-methyl-5-((4-methylpiperazin-1-yl)(phenyl)methyl)thiazolo[3,2-b][1,2,4]triazol-6-ol, 2-METHYL-5-[(4-METHYLPIPERAZIN-1-YL)(PHENYL)METHYL]-[1,2,4]TRIAZOLO[3,2-B][1,3]THIAZOL-6-OL, F0631-0013, 2-methyl-5-[(4-methylpiperazin-1-yl)-phenylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol, 2-methyl-5-[(4-methylpiperazin-1-yl)(phenyl)methyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
| Molecular Formula | C17H21N5OS |
| Molecular Weight | 343.14667 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 85.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 343.14667 Da |
| Heavy Atoms | 24 |
| Complexity | 427.0 |
| SMILES | CC1=NN2C(=C(SC2=N1)C(C3=CC=CC=C3)N4CCN(CC4)C)O |
| InChIKey | OANZQUSTOKCTSG-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-methyl-5-((4-methylpiperazin-1-yl)(phenyl)methyl)thiazolo[3,2-b][1,2,4]triazol-6-ol. The TPSA of 85.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-methyl-5-((4-methylpiperazin-1-yl)(phenyl)methyl)thiazolo[3,2-b][1,2,4]triazol-6-ol. Following Lipinski's Rule of Five, 2-methyl-5-((4-methylpiperazin-1-yl)(phenyl)methyl)thiazolo[3,2-b][1,2,4]triazol-6-ol has 1 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 2-methyl-5-((4-methylpiperazin-1-yl)(phenyl)methyl)thiazolo[3,2-b][1,2,4]triazol-6-ol is 162661-12-3.
The molecular formula of 2-methyl-5-((4-methylpiperazin-1-yl)(phenyl)methyl)thiazolo[3,2-b][1,2,4]triazol-6-ol is C17H21N5OS.
The molecular weight of 2-methyl-5-((4-methylpiperazin-1-yl)(phenyl)methyl)thiazolo[3,2-b][1,2,4]triazol-6-ol is 343.14667 g/mol.
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