TL;DR: N-[2-(Dimethylamino)ethyl]-N-(6-fluoro-2-benzothiazolyl)-4-(1-methylethoxy)benzamide (CAS 1170215-22-1) is a chemical compound with molecular formula C21H24FN3O2S and molecular weight 401.15732 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide
Also Known As: N-[2-(Dimethylamino)ethyl]-N-(6-fluoro-2-benzothiazolyl)-4-(1-methylethoxy)benzamide, N-(2-dimethylaminoethyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide, N-(2-dimethylaminoethyl)-N-(6-fluorobenzothiazol-2-yl)-4-propan-2-yloxy-benzamide, N-[2-(Dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-4-[(propan-2-yl)oxy]benzamide
| Molecular Formula | C21H24FN3O2S |
| Molecular Weight | 401.15732 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 73.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 401.15732 Da |
| Heavy Atoms | 28 |
| Complexity | 514.0 |
| SMILES | CC(C)OC1=CC=C(C=C1)C(=O)N(CCN(C)C)C2=NC3=C(S2)C=C(C=C3)F |
| InChIKey | FYRBMCWHNUQKHI-UHFFFAOYSA-N |
The XLogP value of 4.6 indicates that N-[2-(Dimethylamino)ethyl]-N-(6-fluoro-2-benzothiazolyl)-4-(1-methylethoxy)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-(Dimethylamino)ethyl]-N-(6-fluoro-2-benzothiazolyl)-4-(1-methylethoxy)benzamide. Following Lipinski's Rule of Five, N-[2-(Dimethylamino)ethyl]-N-(6-fluoro-2-benzothiazolyl)-4-(1-methylethoxy)benzamide 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 N-[2-(Dimethylamino)ethyl]-N-(6-fluoro-2-benzothiazolyl)-4-(1-methylethoxy)benzamide is 1170215-22-1.
The molecular formula of N-[2-(Dimethylamino)ethyl]-N-(6-fluoro-2-benzothiazolyl)-4-(1-methylethoxy)benzamide is C21H24FN3O2S.
The molecular weight of N-[2-(Dimethylamino)ethyl]-N-(6-fluoro-2-benzothiazolyl)-4-(1-methylethoxy)benzamide is 401.15732 g/mol.
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