dimagnesium;(2S)-2-amino-2-methyl-3-sulfanylpropanoic acid;2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzonitrile;(4S)-2-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylate;(4S)-2-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;trihydroxide;hydrochloride

C54H81ClMg2N4O24S3 — CID 162033698

About dimagnesium;(2S)-2-amino-2-methyl-3-sulfanylpropanoic acid;2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzonitrile;(4S)-2-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylate;(4S)-2-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;trihydroxide;hydrochloride

dimagnesium;(2S)-2-amino-2-methyl-3-sulfanylpropanoic acid;2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzonitrile;(4S)-2-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylate;(4S)-2-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;trihydroxide;hydrochloride (PubChem CID 162033698) has the molecular formula C54H81ClMg2N4O24S3 and a molecular weight of 1350.51 g/mol. Its IUPAC name is dimagnesium;(2S)-2-amino-2-methyl-3-sulfanylpropanoic acid;2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzonitrile;(4S)-2-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylate;(4S)-2-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;trihydroxide;hydrochloride.

Molecular Properties

• Compound Name: dimagnesium;(2S)-2-amino-2-methyl-3-sulfanylpropanoic acid;2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzonitrile;(4S)-2-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylate;(4S)-2-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;trihydroxide;hydrochloride
• PubChem CID: 162033698
• Molecular Formula: C54H81ClMg2N4O24S3
• Molecular Weight: 1350.51 g/mol
• Exact Mass: 1348.38
• IUPAC Name: dimagnesium;(2S)-2-amino-2-methyl-3-sulfanylpropanoic acid;2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzonitrile;(4S)-2-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylate;(4S)-2-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;trihydroxide;hydrochloride
• SMILES: COCCOCCOCCOc1cccc(C#N)c1O.COCCOCCOCCOc1cccc(C2=N[C@@](C)(C(=O)O)CS2)c1O.COCCOCCOCCOc1cccc(C2=N[C@@](C)(C(=O)[O-])CS2)c1O.C[C@@](N)(CS)C(=O)O.Cl.[Mg+2].[Mg+2].[OH-].[OH-].[OH-]
• InChI: InChI=1S/2C18H25NO7S.C14H19NO5.C4H9NO2S.ClH.2Mg.3H2O/c2*1-18(17(21)22)12-27-16(19-18)13-4-3-5-14(15(13)20)26-11-10-25-9-8-24-7-6-23-2;1-17-5-6-18-7-8-19-9-10-20-13-4-2-3-12(11-15)14(13)16;1-4(5,2-8)3(6)7;;;;;;/h2*3-5,20H,6-12H2,1-2H3,(H,21,22);2-4,16H,5-10H2,1H3;8H,2,5H2,1H3,(H,6,7);1H;;;3*1H2/q;;;;;2*+2;;;/p-4/t2*18-;;4-;;;;;;/m11.1....../s1
• InChIKey: MDHVHJIXCRRNDJ-FGFDVZJQSA-J
• XLogP: 2.41
• TPSA: 450.71 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 29
• Rotatable Bonds: 36
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1350.51
LogP ≤ 5	2.41
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dimagnesium;(2S)-2-amino-2-methyl-3-sulfanylpropanoic acid;2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzonitrile;(4S)-2-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylate;(4S)-2-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;trihydroxide;hydrochloride?

The IUPAC name of dimagnesium;(2S)-2-amino-2-methyl-3-sulfanylpropanoic acid;2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzonitrile;(4S)-2-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylate;(4S)-2-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;trihydroxide;hydrochloride (CID 162033698) is dimagnesium;(2S)-2-amino-2-methyl-3-sulfanylpropanoic acid;2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzonitrile;(4S)-2-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylate;(4S)-2-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;trihydroxide;hydrochloride.

What is the SMILES notation for dimagnesium;(2S)-2-amino-2-methyl-3-sulfanylpropanoic acid;2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzonitrile;(4S)-2-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylate;(4S)-2-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;trihydroxide;hydrochloride?

The canonical SMILES for dimagnesium;(2S)-2-amino-2-methyl-3-sulfanylpropanoic acid;2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzonitrile;(4S)-2-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylate;(4S)-2-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;trihydroxide;hydrochloride is COCCOCCOCCOc1cccc(C#N)c1O.COCCOCCOCCOc1cccc(C2=N[C@@](C)(C(=O)O)CS2)c1O.COCCOCCOCCOc1cccc(C2=N[C@@](C)(C(=O)[O-])CS2)c1O.C[C@@](N)(CS)C(=O)O.Cl.[Mg+2].[Mg+2].[OH-].[OH-].[OH-].

What is the InChIKey of dimagnesium;(2S)-2-amino-2-methyl-3-sulfanylpropanoic acid;2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzonitrile;(4S)-2-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylate;(4S)-2-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;trihydroxide;hydrochloride?

The InChIKey is MDHVHJIXCRRNDJ-FGFDVZJQSA-J. The full InChI is InChI=1S/2C18H25NO7S.C14H19NO5.C4H9NO2S.ClH.2Mg.3H2O/c2*1-18(17(21)22)12-27-16(19-18)13-4-3-5-14(15(13)20)26-11-10-25-9-8-24-7-6-23-2;1-17-5-6-18-7-8-19-9-10-20-13-4-2-3-12(11-15)14(13)16;1-4(5,2-8)3(6)7;;;;;;/h2*3-5,20H,6-12H2,1-2H3,(H,21,22);2-4,16H,5-10H2,1H3;8H,2,5H2,1H3,(H,6,7);1H;;;3*1H2/q;;;;;2*+2;;;/p-4/t2*18-;;4-;;;;;;/m11.1....../s1.

What are the key properties of dimagnesium;(2S)-2-amino-2-methyl-3-sulfanylpropanoic acid;2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzonitrile;(4S)-2-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylate;(4S)-2-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;trihydroxide;hydrochloride?

dimagnesium;(2S)-2-amino-2-methyl-3-sulfanylpropanoic acid;2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzonitrile;(4S)-2-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylate;(4S)-2-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;trihydroxide;hydrochloride has a molecular weight of 1350.51 g/mol, XLogP of 2.41, 36 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for dimagnesium;(2S)-2-amino-2-methyl-3-sulfanylpropanoic acid;2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzonitrile;(4S)-2-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylate;(4S)-2-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid;trihydroxide;hydrochloride is sourced from PubChem (CID 162033698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).