magnesium;2-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylate;hydroxide

C18H25MgNO8S — CID 136510377

IUPACmagnesium;2-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylate;hydroxide
SMILESCOCCOCCOCCOc1cccc(C2=NC(C)(C(=O)[O-])CS2)c1O.[Mg+2].[OH-]
InChIInChI=1S/C18H25NO7S.Mg.H2O/c1-18(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;;/h3-5,20H,6-12H2,1-2H3,(H,21,22);;1H2/q;+2;/p-2
InChIKeyMVAWDZLMOYASSX-UHFFFAOYSA-L
MW439.77 g/mol
LogP-0.10
Rot. Bonds12

About magnesium;2-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylate;hydroxide

magnesium;2-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylate;hydroxide (PubChem CID 136510377) has the molecular formula C18H25MgNO8S and a molecular weight of 439.77 g/mol. Its IUPAC name is magnesium;2-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylate;hydroxide.

Molecular Properties

Compound Namemagnesium;2-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylate;hydroxide
PubChem CID136510377
Molecular FormulaC18H25MgNO8S
Molecular Weight439.77 g/mol
Exact Mass439.12
IUPAC Namemagnesium;2-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylate;hydroxide
SMILESCOCCOCCOCCOc1cccc(C2=NC(C)(C(=O)[O-])CS2)c1O.[Mg+2].[OH-]
InChIInChI=1S/C18H25NO7S.Mg.H2O/c1-18(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;;/h3-5,20H,6-12H2,1-2H3,(H,21,22);;1H2/q;+2;/p-2
InChIKeyMVAWDZLMOYASSX-UHFFFAOYSA-L
XLogP-0.10
TPSA139.64 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.77
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of magnesium;2-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylate;hydroxide?
The IUPAC name of magnesium;2-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylate;hydroxide (CID 136510377) is magnesium;2-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylate;hydroxide.
What is the SMILES notation for magnesium;2-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylate;hydroxide?
The canonical SMILES for magnesium;2-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylate;hydroxide is COCCOCCOCCOc1cccc(C2=NC(C)(C(=O)[O-])CS2)c1O.[Mg+2].[OH-].
What is the InChIKey of magnesium;2-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylate;hydroxide?
The InChIKey is MVAWDZLMOYASSX-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H25NO7S.Mg.H2O/c1-18(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;;/h3-5,20H,6-12H2,1-2H3,(H,21,22);;1H2/q;+2;/p-2.
What are the key properties of magnesium;2-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylate;hydroxide?
magnesium;2-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylate;hydroxide has a molecular weight of 439.77 g/mol, XLogP of -0.10, 12 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylate;hydroxide is sourced from PubChem (CID 136510377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).