2-(Boc-amino)thiazole-5-carboxylic Acid - CAS 302964-02-9
Catalog: |
BB020537 |
Product Name: |
2-(Boc-amino)thiazole-5-carboxylic Acid |
CAS: |
302964-02-9 |
Synonyms: |
2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-thiazolecarboxylic acid; 2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-5-carboxylic acid |
IUPAC Name: | 2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-5-carboxylic acid |
Description: | A reactant used in the preparation of 2-aminocarboxamidothiazoles as inhibitors of Src-family kinase. |
Molecular Weight: | 244.27 |
Molecular Formula: | C9H12N2O4S |
Canonical SMILES: | CC(C)(C)OC(=O)NC1=NC=C(S1)C(=O)O |
InChI: | InChI=1S/C9H12N2O4S/c1-9(2,3)15-8(14)11-7-10-4-5(16-7)6(12)13/h4H,1-3H3,(H,12,13)(H,10,11,14) |
InChI Key: | QNFLEDLPOVONCN-UHFFFAOYSA-N |
Density: | 1.406 g/cm3 |
MDL: | MFCD06796614 |
LogP: | 2.26130 |
GHS Hazard Statement: | H317 (95.12%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021105335-A1 | Piperidine-2, 6-dione derivatives which bind to cereblon, and methods of use thereof | 20191127 |
CN-112402422-A | Use of fluoro-substituted 2-aminothiazole-5-aromatic carboxamides | 20190820 |
CN-112409349-A | Kinase inhibitor, preparation, pharmaceutical composition and application thereof | 20190820 |
WO-2021032128-A1 | Application of fluoro-substituted 2-aminothiazole-5-aromatic carboxamide | 20190820 |
WO-2021032129-A1 | Kinase inhibitor, preparation therefor, pharmaceutical composition thereof and use thereof | 20190820 |
Complexity: | 290 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.05177804 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.05177804 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 117 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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