Ethyl 4-(Trifluoromethyl)thiazole-2-carboxylate - CAS 79247-86-2
Catalog: |
BB036318 |
Product Name: |
Ethyl 4-(Trifluoromethyl)thiazole-2-carboxylate |
CAS: |
79247-86-2 |
Synonyms: |
4-(trifluoromethyl)-2-thiazolecarboxylic acid ethyl ester; ethyl 4-(trifluoromethyl)-1,3-thiazole-2-carboxylate |
IUPAC Name: | ethyl 4-(trifluoromethyl)-1,3-thiazole-2-carboxylate |
Description: | Ethyl 4-(Trifluoromethyl)thiazole-2-carboxylate (CAS# 79247-86-2) is used as a reactant in the preparation of 2-acylaminothiazole derivatives as muscarinic M3 receptor positive allosteric modulators. |
Molecular Weight: | 225.19 |
Molecular Formula: | C7H6F3NO2S |
Canonical SMILES: | CCOC(=O)C1=NC(=CS1)C(F)(F)F |
InChI: | InChI=1S/C7H6F3NO2S/c1-2-13-6(12)5-11-4(3-14-5)7(8,9)10/h3H,2H2,1H3 |
InChI Key: | PSTFYCCCZHOTHW-UHFFFAOYSA-N |
LogP: | 2.33860 |
Publication Number | Title | Priority Date |
WO-2020264499-A1 | Irak degraders and uses thereof | 20190628 |
WO-2020239999-A1 | SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE | 20190531 |
US-2021300918-A1 | SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE | 20190531 |
AU-2018253069-A1 | Liver X receptors (LXR) modulators | 20170410 |
CA-3057736-A1 | Liver x receptors (lxr) modulators | 20170410 |
Complexity: | 222 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 225.00713409 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 225.00713409 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 67.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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