TL;DR: 2-(Dimethylamino)-4-{4-nitrophenyl}-1,3-thiazole (CAS 130306-61-5) is a chemical compound with molecular formula C11H11N3O2S and molecular weight 249.0572 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N-dimethyl-4-(4-nitrophenyl)-1,3-thiazol-2-amine
Also Known As: 2-(dimethylamino)-4-{4-nitrophenyl}-1,3-thiazole, N,N-dimethyl-4-(4-nitrophenyl)-1,3-thiazol-2-amine, N,N-dimethyl-4-(4-nitrophenyl)-2-thiazolamine, AB-601/30966015
| Molecular Formula | C11H11N3O2S |
| Molecular Weight | 249.0572 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 90.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.0572 Da |
| Heavy Atoms | 17 |
| Complexity | 274.0 |
| SMILES | CN(C)C1=NC(=CS1)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | ODCWNXRKYVORLL-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Dimethylamino)-4-{4-nitrophenyl}-1,3-thiazole. The TPSA of 90.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Dimethylamino)-4-{4-nitrophenyl}-1,3-thiazole. Following Lipinski's Rule of Five, 2-(Dimethylamino)-4-{4-nitrophenyl}-1,3-thiazole has 0 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 2-(Dimethylamino)-4-{4-nitrophenyl}-1,3-thiazole is 130306-61-5.
The molecular formula of 2-(Dimethylamino)-4-{4-nitrophenyl}-1,3-thiazole is C11H11N3O2S.
The molecular weight of 2-(Dimethylamino)-4-{4-nitrophenyl}-1,3-thiazole is 249.0572 g/mol.
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