TL;DR: 4H-s-Triazolo(3,4-c)(1,4)benzothiazine-1-methanamine, N,N-diethyl- (CAS 110215-94-6) is a chemical compound with molecular formula C14H18N4S and molecular weight 274.1252 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-ethyl-N-(4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazin-1-ylmethyl)ethanamine
Also Known As: 4H-s-Triazolo(3,4-c)(1,4)benzothiazine-1-methanamine, N,N-diethyl-, N,N-Diethyl-4H-s-triazolo(3,4-c)(1,4)benzothiazine-1-methanamine, N-ethyl-N-(4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazin-1-ylmethyl)ethanamine, N-Ethyl-N-[(4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazin-1-yl)methyl]ethanamine
| Molecular Formula | C14H18N4S |
| Molecular Weight | 274.1252 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 59.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 274.1252 Da |
| Heavy Atoms | 19 |
| Complexity | 297.0 |
| SMILES | CCN(CC)CC1=NN=C2N1C3=CC=CC=C3SC2 |
| InChIKey | AGWMDRLVFMHYTN-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-s-Triazolo(3,4-c)(1,4)benzothiazine-1-methanamine, N,N-diethyl-. With a topological polar surface area (TPSA) of 59.3 Ų, 4H-s-Triazolo(3,4-c)(1,4)benzothiazine-1-methanamine, N,N-diethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-s-Triazolo(3,4-c)(1,4)benzothiazine-1-methanamine, N,N-diethyl- has 0 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 4H-s-Triazolo(3,4-c)(1,4)benzothiazine-1-methanamine, N,N-diethyl- is 110215-94-6.
The molecular formula of 4H-s-Triazolo(3,4-c)(1,4)benzothiazine-1-methanamine, N,N-diethyl- is C14H18N4S.
The molecular weight of 4H-s-Triazolo(3,4-c)(1,4)benzothiazine-1-methanamine, N,N-diethyl- is 274.1252 g/mol.
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