TL;DR: Imidazo(2,1-b)thiazol-5(6H)-one, 2,3-dihydro-6-(3-(nitrophenyl)methylene)- (CAS 129228-61-1) is a chemical compound with molecular formula C12H9N3O3S and molecular weight 275.03647 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6E)-6-[(3-nitrophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one
Also Known As: 2,3-Dihydro-6-(3-nitrobenzylidene)imidazo(2,1-b)thiazol-5(6H)-one, Imidazo(2,1-b)thiazol-5(6H)-one, 2,3-dihydro-6-(3-(nitrophenyl)methylene)-, (6E)-6-[(3-Nitrophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5(6H)-one, (6E)-6-[(3-nitrophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one
| Molecular Formula | C12H9N3O3S |
| Molecular Weight | 275.03647 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 275.03647 Da |
| Heavy Atoms | 19 |
| Complexity | 483.0 |
| SMILES | C1CSC2=N/C(=C/C3=CC(=CC=C3)[N+](=O)[O-])/C(=O)N21 |
| InChIKey | PCDLCAYOTKHGDA-JXMROGBWSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Imidazo(2,1-b)thiazol-5(6H)-one, 2,3-dihydro-6-(3-(nitrophenyl)methylene)-. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Imidazo(2,1-b)thiazol-5(6H)-one, 2,3-dihydro-6-(3-(nitrophenyl)methylene)-. Following Lipinski's Rule of Five, Imidazo(2,1-b)thiazol-5(6H)-one, 2,3-dihydro-6-(3-(nitrophenyl)methylene)- 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 Imidazo(2,1-b)thiazol-5(6H)-one, 2,3-dihydro-6-(3-(nitrophenyl)methylene)- is 129228-61-1.
The molecular formula of Imidazo(2,1-b)thiazol-5(6H)-one, 2,3-dihydro-6-(3-(nitrophenyl)methylene)- is C12H9N3O3S.
The molecular weight of Imidazo(2,1-b)thiazol-5(6H)-one, 2,3-dihydro-6-(3-(nitrophenyl)methylene)- is 275.03647 g/mol.
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