5-Thiazole boronic acid MIDA ester

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Molecular Formula:

C8H9BN2O4S

Molecular Weight:

240.04

Product Information

Molecular Formula:

C8H9BN2O4S

Molecular Weight:

240.04

Description

5-Thiazole boronic acid MIDA ester is a versatile compound widely used in the biomedical industry. It serves as a crucial building block in the development of drugs targeting various diseases, including cancer and autoimmune disorders. With its unique properties, this compound plays a significant role in the synthesis of potential therapeutics, aiming to improve human health and combat debilitating ailments.

Synonyms

6-METHYL-2-(1,3-THIAZOL-5-YL)-1,3,6,2-DIOXAZABOROCANE-4,8-DIONE; 6-methyl-2-(thiazol-5-yl)-1,3,6,2-dioxazaborocane-4,8-dione; 2-(Thiazole-5-yl)-6-methyl-5,6-dihydro-4H-1,3,6,2-dioxazaborocine-4,8(7H)-dione; 4H-1,3,6,2-Dioxazaborocine-4,8(5H)-dione, dihydro-6-methyl-2-(5-thiazolyl)-; 4H-1,3,6,2-Dioxazaborocine-4,8(5H)-dione,dihydro-6-methyl-2-(5-thiazolyl)-

IUPAC Name

6-methyl-2-(1,3-thiazol-5-yl)-1,3,6,2-dioxazaborocane-4,8-dione

Canonical SMILES

B1(OC(=O)CN(CC(=O)O1)C)C2=CN=CS2

InChI

InChI=1S/C8H9BN2O4S/c1-11-3-7(12)14-9(15-8(13)4-11)6-2-10-5-16-6/h2,5H,3-4H2,1H3

InChI Key

JHLBEKAIQFBSNV-UHFFFAOYSA-N

Melting Point

172-178 °C

Flash Point

Not applicable

Storage

2-8°C

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

240.0376081 g/mol

Monoisotopic Mass

240.0376081 g/mol

Topological Polar Surface Area

97Å²

Heavy Atom Count

Formal Charge

Complexity

284

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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5-Thiazole boronic acid MIDA ester

Product Information

Computed Properties

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