TL;DR: 4-[5-methoxy-2-(1,3-thiazol-2-yl)-1H-indol-3-yl]butan-1-amine (CAS 546061-86-3) is a chemical compound with molecular formula C16H19N3OS and molecular weight 301.12488 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[5-methoxy-2-(1,3-thiazol-2-yl)-1H-indol-3-yl]butan-1-amine
Also Known As: 4-[5-methoxy-2-(1,3-thiazol-2-yl)-1H-indol-3-yl]butan-1-amine, 4-(5-methoxy-2-(thiazol-2-yl)-1h-indol-3-yl)butan-1-amine
| Molecular Formula | C16H19N3OS |
| Molecular Weight | 301.12488 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 92.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 301.12488 Da |
| Heavy Atoms | 21 |
| Complexity | 331.0 |
| SMILES | COC1=CC2=C(C=C1)NC(=C2CCCCN)C3=NC=CS3 |
| InChIKey | OLKWCEUAXWAHGV-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[5-methoxy-2-(1,3-thiazol-2-yl)-1H-indol-3-yl]butan-1-amine. The TPSA of 92.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[5-methoxy-2-(1,3-thiazol-2-yl)-1H-indol-3-yl]butan-1-amine. Following Lipinski's Rule of Five, 4-[5-methoxy-2-(1,3-thiazol-2-yl)-1H-indol-3-yl]butan-1-amine 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-[5-methoxy-2-(1,3-thiazol-2-yl)-1H-indol-3-yl]butan-1-amine is 546061-86-3.
The molecular formula of 4-[5-methoxy-2-(1,3-thiazol-2-yl)-1H-indol-3-yl]butan-1-amine is C16H19N3OS.
The molecular weight of 4-[5-methoxy-2-(1,3-thiazol-2-yl)-1H-indol-3-yl]butan-1-amine is 301.12488 g/mol.
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