Ethyl 2-(2-Methyl-1,3-thiazol-5-yl)acetate - CAS 60588-60-5
Catalog: |
BB066273 |
Product Name: |
Ethyl 2-(2-Methyl-1,3-thiazol-5-yl)acetate |
CAS: |
60588-60-5 |
Synonyms: |
Ethyl 2-(2-methylthiazol-5-yl)acetate; ethyl 2-(2-methyl-1,3-thiazol-5-yl)acetate; Ethyl2-(2-methylthiazol-5-yl)acetate; ethyl 2-methyl-5-thiazole acetate; Ethyl (2-methyl-1,3-thiazol-5-yl)acetate |
IUPAC Name: | ethyl 2-(2-methyl-1,3-thiazol-5-yl)acetate |
Description: | Ethyl 2-(2-Methyl-1,3-thiazol-5-yl)acetate can be used to selectively modulate the CB2 receptor to treat inflammation and pain. |
Molecular Weight: | 185.24 |
Molecular Formula: | C8H11NO2S |
Canonical SMILES: | CCOC(=O)CC1=CN=C(S1)C |
InChI: | InChI=1S/C8H11NO2S/c1-3-11-8(10)4-7-5-9-6(2)12-7/h5H,3-4H2,1-2H3 |
InChI Key: | RGPWSBLQRKGRSH-UHFFFAOYSA-N |
References: | Bartolozzi, A., et.al. U.S. Pat. Appl. Publ., 52, (2011). |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 185.05104977 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 185.05104977 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 67.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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