TL;DR: 1-(5-Methoxy-1,2-dimethyl-1H-indol-3-yl)-2-(4-methyl-thiazol-2-ylamino)-ethanone (CAS 1052545-24-0) is a chemical compound with molecular formula C17H20IN3O2S and molecular weight 457.0321 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(5-methoxy-1,2-dimethylindol-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)amino]ethanone;hydroiodide
Also Known As: VU0095219-1, 1-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-2-((4-methylthiazol-2-yl)amino)ethanone hydroiodide, 1-(5-Methoxy-1,2-dimethyl-1H-indol-3-yl)-2-(4-methyl-thiazol-2-ylamino)-ethanone, 1-(5-methoxy-1,2-dimethylindol-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)amino]ethanone hydroiodide, REGID_for_CID_6603647
| Molecular Formula | C17H20IN3O2S |
| Molecular Weight | 457.0321 g/mol |
| XLogP | 4.17304 |
| Topological Polar Surface Area (TPSA) | 84.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 457.0321 Da |
| Heavy Atoms | 24 |
| Complexity | 436.0 |
| SMILES | CC1=CSC(=N1)NCC(=O)C2=C(N(C3=C2C=C(C=C3)OC)C)C.I |
| InChIKey | BQNUFJICYGYJBN-UHFFFAOYSA-N |
The XLogP value of 4.17304 indicates that 1-(5-Methoxy-1,2-dimethyl-1H-indol-3-yl)-2-(4-methyl-thiazol-2-ylamino)-ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5-Methoxy-1,2-dimethyl-1H-indol-3-yl)-2-(4-methyl-thiazol-2-ylamino)-ethanone. Following Lipinski's Rule of Five, 1-(5-Methoxy-1,2-dimethyl-1H-indol-3-yl)-2-(4-methyl-thiazol-2-ylamino)-ethanone has 2 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 1-(5-Methoxy-1,2-dimethyl-1H-indol-3-yl)-2-(4-methyl-thiazol-2-ylamino)-ethanone is 1052545-24-0.
The molecular formula of 1-(5-Methoxy-1,2-dimethyl-1H-indol-3-yl)-2-(4-methyl-thiazol-2-ylamino)-ethanone is C17H20IN3O2S.
The molecular weight of 1-(5-Methoxy-1,2-dimethyl-1H-indol-3-yl)-2-(4-methyl-thiazol-2-ylamino)-ethanone is 457.0321 g/mol.
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