2-(Boc-amino)-5-fluorothiazole - CAS 731018-54-5
Catalog: |
BB034768 |
Product Name: |
2-(Boc-amino)-5-fluorothiazole |
CAS: |
731018-54-5 |
Synonyms: |
N-(5-fluoro-2-thiazolyl)carbamic acid tert-butyl ester; tert-butyl N-(5-fluoro-1,3-thiazol-2-yl)carbamate |
IUPAC Name: | tert-butyl N-(5-fluoro-1,3-thiazol-2-yl)carbamate |
Description: | 2-(Boc-amino)-5-fluorothiazole (CAS# 731018-54-5) is a useful research chemical. |
Molecular Weight: | 218.25 |
Molecular Formula: | C8H11FN2O2S |
Canonical SMILES: | CC(C)(C)OC(=O)NC1=NC=C(S1)F |
InChI: | InChI=1S/C8H11FN2O2S/c1-8(2,3)13-7(12)11-6-10-4-5(9)14-6/h4H,1-3H3,(H,10,11,12) |
InChI Key: | VCMFSWGHVQKQGS-UHFFFAOYSA-N |
Density: | 1.32 g/cm3 |
LogP: | 2.70220 |
Publication Number | Title | Priority Date |
CA-3025866-A1 | Alpha-d-galactoside inhibitors of galectins | 20160712 |
EP-3484903-A1 | Alpha-d-galactoside inhibitors of galectins | 20160712 |
JP-2019524720-A | Î'-D-Galactoside inhibitor of galectin | 20160712 |
US-2019225638-A1 | Alpha-d-galactoside inhibitors of galectins | 20160712 |
WO-2018011093-A1 | Alpha-d-galactoside inhibitors of galectins | 20160712 |
Complexity: | 220 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.05252693 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.05252693 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 79.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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