TL;DR: (S)-N-(benzo[d]thiazol-2-yl)-2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)propanamide (CAS 1173679-64-5) is a chemical compound with molecular formula C17H13N5O2S and molecular weight 351.079 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-N-(1,3-benzothiazol-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
Also Known As: (S)-N-(benzo[d]thiazol-2-yl)-2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)propanamide, (2S)-N-[(2E)-1,3-benzothiazol-2(3H)-ylidene]-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide, (2S)-N-(1,3-benzothiazol-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
| Molecular Formula | C17H13N5O2S |
| Molecular Weight | 351.079 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 351.079 Da |
| Heavy Atoms | 25 |
| Complexity | 571.0 |
| SMILES | C[C@@H](C(=O)NC1=NC2=CC=CC=C2S1)N3C(=O)C4=CC=CC=C4N=N3 |
| InChIKey | FAOVXVPIVLQDOO-JTQLQIEISA-N |
The XLogP value of 3.7 indicates that (S)-N-(benzo[d]thiazol-2-yl)-2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)propanamide 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)-2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)propanamide. Following Lipinski's Rule of Five, (S)-N-(benzo[d]thiazol-2-yl)-2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)propanamide 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)-2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)propanamide is 1173679-64-5.
The molecular formula of (S)-N-(benzo[d]thiazol-2-yl)-2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)propanamide is C17H13N5O2S.
The molecular weight of (S)-N-(benzo[d]thiazol-2-yl)-2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)propanamide is 351.079 g/mol.
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