TL;DR: 1-(4-(4-Bromophenyl)thiazol-2-yl)guanidine (CAS 1086696-26-5) is a chemical compound with molecular formula C10H9BrN4S and molecular weight 295.97314 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]guanidine
Also Known As: ascaroside C3, 1-(4-(4-Bromophenyl)thiazol-2-yl)guanidine, 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]guanidine, 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]guanidine, N -[4-(4-Bromo-phenyl)-thiazol-2-yl]-guanidine
| Molecular Formula | C10H9BrN4S |
| Molecular Weight | 295.97314 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 295.97314 Da |
| Heavy Atoms | 16 |
| Complexity | 262.0 |
| SMILES | C1=CC(=CC=C1C2=CSC(=N2)N=C(N)N)Br |
| InChIKey | UUWZRYCIVAIZDL-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-(4-Bromophenyl)thiazol-2-yl)guanidine. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-(4-Bromophenyl)thiazol-2-yl)guanidine. Following Lipinski's Rule of Five, 1-(4-(4-Bromophenyl)thiazol-2-yl)guanidine has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-(4-(4-Bromophenyl)thiazol-2-yl)guanidine is 1086696-26-5.
The molecular formula of 1-(4-(4-Bromophenyl)thiazol-2-yl)guanidine is C10H9BrN4S.
The molecular weight of 1-(4-(4-Bromophenyl)thiazol-2-yl)guanidine is 295.97314 g/mol.
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