4-Thiazolecarboxylic acid, 2-methyl-5-phenyl-


Chemical Name: 4-Thiazolecarboxylic acid, 2-methyl-5-phenyl-
CAS Number: 13743-09-4
Product Number: AG007LKA(AGN-PC-0JYD7Q)
Synonyms:
MDL No:
Molecular Formula: C11H9NO2S
Molecular Weight: 219.2597

Identification/Properties


Computed Properties
Molecular Weight:
219.258g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
219.035g/mol
Monoisotopic Mass:
219.035g/mol
Topological Polar Surface Area:
78.4A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
241
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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Chemical Structure



2-Methyl-5-phenylthiazole-4-carboxylic acid, also known as $name$, is a versatile compound widely used in chemical synthesis. This compound serves as a key building block in the creation of various pharmaceuticals, agrochemicals, and organic molecules due to its unique structure and reactive properties. In chemical synthesis, $name$ can be utilized as a starting material to generate more complex structures through various reactions such as acylation, alkylation, and condensation. Its thiazole ring and carboxylic acid group provide multiple points of reactivity, allowing for diverse modifications and derivatizations to tailor the final product for specific applications. Additionally, the presence of the methyl and phenyl substituents on the thiazole ring further enhances the compound's versatility and potential for creating structurally diverse molecules with desired properties.