TL;DR: 4-[2,5-dimethyl-1-(2-phenylethyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-amine hydrochloride (CAS 1052526-48-3) is a chemical compound with molecular formula C17H20ClN3S and molecular weight 333.10666 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-1,3-thiazol-2-amine;hydrochloride
Also Known As: 4-[2,5-dimethyl-1-(2-phenylethyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-amine hydrochloride, 4-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-1,3-thiazol-2-amine;hydrochloride, 4-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-1,3-thiazol-2-amine hydrochloride, 4-(2,5-dimethyl-1-(2-phenylethyl)-1H-pyrrol-3-yl)-1,3-thiazol-2-amine hydrochloride, 4-[2,5-dimethyl-1-(2-phenylethyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-aminehydrochloride
| Molecular Formula | C17H20ClN3S |
| Molecular Weight | 333.10666 g/mol |
| XLogP | 4.47514 |
| Topological Polar Surface Area (TPSA) | 72.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.10666 Da |
| Heavy Atoms | 22 |
| Complexity | 332.0 |
| SMILES | CC1=CC(=C(N1CCC2=CC=CC=C2)C)C3=CSC(=N3)N.Cl |
| InChIKey | RVAKDOUDSQFJND-UHFFFAOYSA-N |
The XLogP value of 4.47514 indicates that 4-[2,5-dimethyl-1-(2-phenylethyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-amine hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[2,5-dimethyl-1-(2-phenylethyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-amine hydrochloride. Following Lipinski's Rule of Five, 4-[2,5-dimethyl-1-(2-phenylethyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-amine hydrochloride has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-[2,5-dimethyl-1-(2-phenylethyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-amine hydrochloride is 1052526-48-3.
The molecular formula of 4-[2,5-dimethyl-1-(2-phenylethyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-amine hydrochloride is C17H20ClN3S.
The molecular weight of 4-[2,5-dimethyl-1-(2-phenylethyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-amine hydrochloride is 333.10666 g/mol.
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