TL;DR: (S)-N-(benzo[d]thiazol-2-yl)-3-methyl-2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)butanamide (CAS 1173683-17-4) is a chemical compound with molecular formula C19H17N5O2S and molecular weight 379.1103 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-N-(1,3-benzothiazol-2-yl)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
Also Known As: (S)-N-(benzo[d]thiazol-2-yl)-3-methyl-2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)butanamide, (2S)-N-(1,3-benzothiazol-2-yl)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide, (2S)-N-[(2E)-1,3-benzothiazol-2(3H)-ylidene]-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide
| Molecular Formula | C19H17N5O2S |
| Molecular Weight | 379.1103 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 379.1103 Da |
| Heavy Atoms | 27 |
| Complexity | 613.0 |
| SMILES | CC(C)[C@@H](C(=O)NC1=NC2=CC=CC=C2S1)N3C(=O)C4=CC=CC=C4N=N3 |
| InChIKey | RFQWCVQEGAVHKR-INIZCTEOSA-N |
The XLogP value of 4.6 indicates that (S)-N-(benzo[d]thiazol-2-yl)-3-methyl-2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)butanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-N-(benzo[d]thiazol-2-yl)-3-methyl-2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)butanamide. Following Lipinski's Rule of Five, (S)-N-(benzo[d]thiazol-2-yl)-3-methyl-2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)butanamide has 1 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 (S)-N-(benzo[d]thiazol-2-yl)-3-methyl-2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)butanamide is 1173683-17-4.
The molecular formula of (S)-N-(benzo[d]thiazol-2-yl)-3-methyl-2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)butanamide is C19H17N5O2S.
The molecular weight of (S)-N-(benzo[d]thiazol-2-yl)-3-methyl-2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)butanamide is 379.1103 g/mol.
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