TL;DR: (E)-N-(6-bromo-3-methylbenzo[d]thiazol-2(3H)-ylidene)-4-methoxybenzamide (CAS 313660-11-6) is a chemical compound with molecular formula C16H13BrN2O2S and molecular weight 375.9881 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide
Also Known As: (E)-N-(6-bromo-3-methylbenzo[d]thiazol-2(3H)-ylidene)-4-methoxybenzamide, F0014-0094, N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide, N-[(2E)-6-bromo-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]-4-methoxybenzamide, N-(6-bromo-3-methyl-benzothiazol-2-ylidene)-4-methoxy-benzamide
| Molecular Formula | C16H13BrN2O2S |
| Molecular Weight | 375.9881 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 67.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 375.9881 Da |
| Heavy Atoms | 22 |
| Complexity | 451.0 |
| SMILES | CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3=CC=C(C=C3)OC |
| InChIKey | YFVHIFHEYDHERA-UHFFFAOYSA-N |
The XLogP value of 4.2 indicates that (E)-N-(6-bromo-3-methylbenzo[d]thiazol-2(3H)-ylidene)-4-methoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N-(6-bromo-3-methylbenzo[d]thiazol-2(3H)-ylidene)-4-methoxybenzamide. Following Lipinski's Rule of Five, (E)-N-(6-bromo-3-methylbenzo[d]thiazol-2(3H)-ylidene)-4-methoxybenzamide has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (E)-N-(6-bromo-3-methylbenzo[d]thiazol-2(3H)-ylidene)-4-methoxybenzamide is 313660-11-6.
The molecular formula of (E)-N-(6-bromo-3-methylbenzo[d]thiazol-2(3H)-ylidene)-4-methoxybenzamide is C16H13BrN2O2S.
The molecular weight of (E)-N-(6-bromo-3-methylbenzo[d]thiazol-2(3H)-ylidene)-4-methoxybenzamide is 375.9881 g/mol.
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