TL;DR: N-(6-bromobenzo[d]thiazol-2-yl)-2-(1,3-dioxoisoindolin-2-yl)acetamide (CAS 139458-59-6) is a chemical compound with molecular formula C17H10BrN3O3S and molecular weight 414.96262 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(6-bromo-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
Also Known As: F0412-0270, N-(6-bromo-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide, N-(6-bromobenzo[d]thiazol-2-yl)-2-(1,3-dioxoisoindolin-2-yl)acetamide, N-(6-bromo-1,3-benzothiazol-2-yl)-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetamide, N-(6-bromobenzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
| Molecular Formula | C17H10BrN3O3S |
| Molecular Weight | 414.96262 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 414.96262 Da |
| Heavy Atoms | 25 |
| Complexity | 565.0 |
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)NC3=NC4=C(S3)C=C(C=C4)Br |
| InChIKey | LQKVPGZZVFYQAZ-UHFFFAOYSA-N |
The XLogP value of 3.3 indicates that N-(6-bromobenzo[d]thiazol-2-yl)-2-(1,3-dioxoisoindolin-2-yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(6-bromobenzo[d]thiazol-2-yl)-2-(1,3-dioxoisoindolin-2-yl)acetamide. Following Lipinski's Rule of Five, N-(6-bromobenzo[d]thiazol-2-yl)-2-(1,3-dioxoisoindolin-2-yl)acetamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-(6-bromobenzo[d]thiazol-2-yl)-2-(1,3-dioxoisoindolin-2-yl)acetamide is 139458-59-6.
The molecular formula of N-(6-bromobenzo[d]thiazol-2-yl)-2-(1,3-dioxoisoindolin-2-yl)acetamide is C17H10BrN3O3S.
The molecular weight of N-(6-bromobenzo[d]thiazol-2-yl)-2-(1,3-dioxoisoindolin-2-yl)acetamide is 414.96262 g/mol.
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