TL;DR: 4H-1,3,4-Thiadiazin-5(6H)-one, 2-(1-(2-(4-chlorophenyl)-2-hydroxyethyl)-1,2,3,6-tetrahydro-4-pyridinyl)-, monohydrochloride (CAS 151092-53-4) is a chemical compound with molecular formula C16H19Cl2N3O2S and molecular weight 387.0575 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3,6-dihydro-2H-pyridin-4-yl]-4H-1,3,4-thiadiazin-5-one;hydrochloride
Also Known As: 4H-1,3,4-Thiadiazin-5(6H)-one, 2-(1-(2-(4-chlorophenyl)-2-hydroxyethyl)-1,2,3,6-tetrahydro-4-pyridinyl)-, monohydrochloride, 2-[1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3,6-dihydro-2H-pyridin-4-yl]-4H-1,3,4-thiadiazin-5-one hydrochloride, 2-{1-[2-(4-Chlorophenyl)-2-hydroxyethyl]-1,2,3,6-tetrahydropyridin-4-yl}-6H-1,3,4-thiadiazin-5-ol--hydrogen chloride (1/1)
| Molecular Formula | C16H19Cl2N3O2S |
| Molecular Weight | 387.0575 g/mol |
| XLogP | 2.6038 |
| Topological Polar Surface Area (TPSA) | 90.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 387.0575 Da |
| Heavy Atoms | 24 |
| Complexity | 504.0 |
| SMILES | C1CN(CC=C1C2=NNC(=O)CS2)CC(C3=CC=C(C=C3)Cl)O.Cl |
| InChIKey | KIFNCGVKAKZWBF-UHFFFAOYSA-N |
The XLogP value of 2.6038 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-1,3,4-Thiadiazin-5(6H)-one, 2-(1-(2-(4-chlorophenyl)-2-hydroxyethyl)-1,2,3,6-tetrahydro-4-pyridinyl)-, monohydrochloride. The TPSA of 90.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-1,3,4-Thiadiazin-5(6H)-one, 2-(1-(2-(4-chlorophenyl)-2-hydroxyethyl)-1,2,3,6-tetrahydro-4-pyridinyl)-, monohydrochloride. Following Lipinski's Rule of Five, 4H-1,3,4-Thiadiazin-5(6H)-one, 2-(1-(2-(4-chlorophenyl)-2-hydroxyethyl)-1,2,3,6-tetrahydro-4-pyridinyl)-, monohydrochloride has 3 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 4H-1,3,4-Thiadiazin-5(6H)-one, 2-(1-(2-(4-chlorophenyl)-2-hydroxyethyl)-1,2,3,6-tetrahydro-4-pyridinyl)-, monohydrochloride is 151092-53-4.
The molecular formula of 4H-1,3,4-Thiadiazin-5(6H)-one, 2-(1-(2-(4-chlorophenyl)-2-hydroxyethyl)-1,2,3,6-tetrahydro-4-pyridinyl)-, monohydrochloride is C16H19Cl2N3O2S.
The molecular weight of 4H-1,3,4-Thiadiazin-5(6H)-one, 2-(1-(2-(4-chlorophenyl)-2-hydroxyethyl)-1,2,3,6-tetrahydro-4-pyridinyl)-, monohydrochloride is 387.0575 g/mol.
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