3-Phenyl-1,2-thiazole-5-carboxylic Acid - CAS 13363-69-4
Catalog: |
BB058357 |
Product Name: |
3-Phenyl-1,2-thiazole-5-carboxylic Acid |
CAS: |
13363-69-4 |
Synonyms: |
3-Phenyl-5-isothiazolecarboxylic Acid; 3-Phenylisothiazole-5-carboxylic Acid |
IUPAC Name: | 3-phenyl-1,2-thiazole-5-carboxylic acid |
Description: | 3-phenyl-1,2-thiazole-5-carboxylic acid (cas# 13363-69-4) is a useful research chemical. It is used in the preparation of substituted benzamidines as protease activated receptor 2 (PAR2) antagonists useful in the treatment of inflammation and inflammatory skin diseases. |
Molecular Weight: | 205.23 |
Molecular Formula: | C10H7NO2S |
Canonical SMILES: | C1=CC=C(C=C1)C2=NSC(=C2)C(=O)O |
InChI: | InChI=1S/C10H7NO2S/c12-10(13)9-6-8(11-14-9)7-4-2-1-3-5-7/h1-6H,(H,12,13) |
InChI Key: | IEGXCDUXWSIMOK-UHFFFAOYSA-N |
References: | Meo, P., et al. PCT Int. Appl. (2014), WO 2014020350 A1 20140206. |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2014020350-A1 | Par2 receptor antagonists | 20120801 |
WO-2014020351-A1 | Receptor antagonists | 20120801 |
CA-2408686-A1 | 3-arylisothiazoles and their use as herbicides | 20000515 |
EP-1289970-A1 | 3-arylisothiazoles and their use as herbicides | 20000515 |
JP-2003533517-A | 3-Arylisothiazoles and their use as herbicides | 20000515 |
US-2004023807-A1 | 3-Arylisothiazoles and their use as herbicides | 20000515 |
WO-0187863-A1 | 3-arylisothiazoles and their use as herbicides | 20000515 |
CN-1178932-C | Amide derivatives | 19990317 |
CN-1350530-A | Amide derivatives | 19990317 |
CZ-20013319-A3 | The novel amide derivatives, the process for their preparation and the pharmaceutical composition containing them | 19990317 |
Complexity: | 216 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 205.01974964 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 205.01974964 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 78.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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