2-(Boc-amino)-4-bromothiazole - CAS 944804-88-0
Catalog: |
BB041338 |
Product Name: |
2-(Boc-amino)-4-bromothiazole |
CAS: |
944804-88-0 |
Synonyms: |
N-(4-bromo-2-thiazolyl)carbamic acid tert-butyl ester; tert-butyl N-(4-bromo-1,3-thiazol-2-yl)carbamate |
IUPAC Name: | tert-butyl N-(4-bromo-1,3-thiazol-2-yl)carbamate |
Description: | 2-(Boc-amino)-4-bromothiazole (CAS# 944804-88-0) is a useful research chemical. |
Molecular Weight: | 279.15 |
Molecular Formula: | C8H11BrN2O2S |
Canonical SMILES: | CC(C)(C)OC(=O)NC1=NC(=CS1)Br |
InChI: | InChI=1S/C8H11BrN2O2S/c1-8(2,3)13-7(12)11-6-10-5(9)4-14-6/h4H,1-3H3,(H,10,11,12) |
InChI Key: | OVRIFGLINJVMLO-UHFFFAOYSA-N |
Density: | 1.574 g/cm3 |
Storage: | Inert atmosphere, 2-8 °C |
MDL: | MFCD11111844 |
LogP: | 3.32560 |
Publication Number | Title | Priority Date |
WO-2021001538-A1 | Novel galactoside inhibitor of galectins | 20190703 |
WO-2020086625-A1 | Vaccine adjuvant | 20181022 |
EP-3556756-A1 | Substituted propanamides as inhibitors of nucleases | 20180417 |
EP-3556756-B1 | Substituted propanamides as inhibitors of nucleases | 20180417 |
CN-112351983-A | Substituted propionamides as inhibitors of nucleases | 20180417 |
Complexity: | 220 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 277.97246 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 277.97246 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 79.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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