Methyl 2-Amino-5-isopropylthiazole-4-carboxylate - CAS 81569-25-7
Catalog: |
BB036675 |
Product Name: |
Methyl 2-Amino-5-isopropylthiazole-4-carboxylate |
CAS: |
81569-25-7 |
Synonyms: |
2-amino-5-propan-2-yl-4-thiazolecarboxylic acid methyl ester; methyl 2-amino-5-propan-2-yl-1,3-thiazole-4-carboxylate |
IUPAC Name: | methyl 2-amino-5-propan-2-yl-1,3-thiazole-4-carboxylate |
Description: | Methyl 2-Amino-5-isopropylthiazole-4-carboxylate (CAS# 81569-25-7) is a useful research chemical. |
Molecular Weight: | 200.26 |
Molecular Formula: | C8H12N2O2S |
Canonical SMILES: | CC(C)C1=C(N=C(S1)N)C(=O)OC |
InChI: | InChI=1S/C8H12N2O2S/c1-4(2)6-5(7(11)12-3)10-8(9)13-6/h4H,1-3H3,(H2,9,10) |
InChI Key: | YEJDFNBFDCUMAG-UHFFFAOYSA-N |
Boiling Point: | 337.1 °C at 760 mmHg |
Density: | 1.233 g/cm3 |
Solubility: | >30 [ug/mL] (The mean of the results at pH 7.4) |
MDL: | MFCD01924792 |
LogP: | 2.21650 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
AU-2013251632-A1 | Imidazothiadiazole and imidazopyrazine derivatives as protease activated receptor 4 (PAR4) inhibitors for treating platelet aggregation | 20120426 |
AU-2013251632-B2 | Imidazothiadiazole and imidazopyrazine derivatives as protease activated receptor 4 (PAR4) inhibitors for treating platelet aggregation | 20120426 |
CA-2871650-A1 | Imidazothiadiazole and imidazopyridazine derivatives as protease activated receptor 4 (par4) inhibitors for treating platelet aggregation | 20120426 |
CA-2871650-C | Imidazothiadiazole and imidazopyridazine derivatives as protease activated receptor 4 (par4) inhibitors for treating platelet aggregation | 20120426 |
DK-2841437-T3 | IMIDAZOTHIADIAZOL AND IMIDAZOPYRAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4- (PAR4) INHIBITORS FOR TREATMENT OF Platelet Aggregation | 20120426 |
PMID | Publication Date | Title | Journal |
21201202 | 20080924 | Ethyl 2-phenyl-5-trifluoro-methyl-1,3-thia-zole-4-carboxyl-ate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 199 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 200.06194880 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 200.06194880 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 93.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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