Ethyl 2-(4-methylphenyl)-thiazole-4-carboxylate - CAS 132089-32-8
Catalog: |
BB007537 |
Product Name: |
Ethyl 2-(4-methylphenyl)-thiazole-4-carboxylate |
CAS: |
132089-32-8 |
Synonyms: |
ethyl 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate |
IUPAC Name: | ethyl 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate |
Description: | Ethyl 2-(4-methylphenyl)-thiazole-4-carboxylate (CAS# 132089-32-8) is a useful research chemical. |
Molecular Weight: | 247.31 |
Molecular Formula: | C13H13NO2S |
Canonical SMILES: | CCOC(=O)C1=CSC(=N1)C2=CC=C(C=C2)C |
InChI: | InChI=1S/C13H13NO2S/c1-3-16-13(15)11-8-17-12(14-11)10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3 |
InChI Key: | YJADELKTGPHXGE-UHFFFAOYSA-N |
Boiling Point: | 375.9 °C at 760 mmHg |
Melting Point: | 45-46 °C |
Purity: | 95 % |
Density: | 1.188 g/cm3 |
Appearance: | White to yellow solid |
Storage: | Sealed in dry, 2-8 °C |
MDL: | MFCD01935979 |
LogP: | 3.29520 |
Publication Number | Title | Priority Date |
WO-2021019051-A1 | Inhibitors of human atgl | 20190730 |
US-2013211075-A1 | Amide derivative and use thereof | 20101014 |
US-9150555-B2 | Amide derivative and use thereof | 20101014 |
EP-1727808-B1 | Biaryl amino acids and their use in dna binding oligomers | 20040301 |
US-2007249591-A1 | Biaryl Amino Acids and Their Use in Dna Binding Oligomers | 20040301 |
PMID | Publication Date | Title | Journal |
22391032 | 20120401 | Generation and exploration of new classes of antitubercular agents: The optimization of oxazolines, oxazoles, thiazolines, thiazoles to imidazo[1,2-a]pyridines and isomeric 5,6-fused scaffolds | Bioorganic & medicinal chemistry |
Complexity: | 264 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 247.06669983 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 247.06669983 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 67.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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Oxazole/Thiazole
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