TL;DR: Hexahydropyrimidine-2,4,6-trione, 5-(2-thiazolylhydrazono)- (CAS 117043-03-5) is a chemical compound with molecular formula C7H5N5O3S and molecular weight 239.0113 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-hydroxy-5-(1,3-thiazol-2-yldiazenyl)-1H-pyrimidine-2,4-dione
Also Known As: alloxan-5-thiazol-2-ylhydrazone, 5-(Thiazol-2-yl-hydrazono)-pyrimidine-2,4,6-trione, Hexahydropyrimidine-2,4,6-trione, 5-(2-thiazolylhydrazono)-, 2,4,5,6(1H,3H)-Pyrimidinetetrone 5-(1,3-thiazol-2-ylhydrazone), 5-(1,3-thiazol-2-ylhydrazinylidene)-1,3-diazinane-2,4,6-trione
| Molecular Formula | C7H5N5O3S |
| Molecular Weight | 239.0113 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 144.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.0113 Da |
| Heavy Atoms | 16 |
| Complexity | 393.0 |
| SMILES | C1=CSC(=N1)N=NC2=C(NC(=O)NC2=O)O |
| InChIKey | YLJDRHSKYOCBTB-UHFFFAOYSA-N |
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexahydropyrimidine-2,4,6-trione, 5-(2-thiazolylhydrazono)-. The TPSA of 144.0 Ų indicates high polarity, suggesting Hexahydropyrimidine-2,4,6-trione, 5-(2-thiazolylhydrazono)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hexahydropyrimidine-2,4,6-trione, 5-(2-thiazolylhydrazono)- has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Hexahydropyrimidine-2,4,6-trione, 5-(2-thiazolylhydrazono)- is 117043-03-5.
The molecular formula of Hexahydropyrimidine-2,4,6-trione, 5-(2-thiazolylhydrazono)- is C7H5N5O3S.
The molecular weight of Hexahydropyrimidine-2,4,6-trione, 5-(2-thiazolylhydrazono)- is 239.0113 g/mol.
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