2-(Boc-amino)thiazole-4-carboxaldehyde - CAS 494769-34-5
Catalog: |
BB026707 |
Product Name: |
2-(Boc-amino)thiazole-4-carboxaldehyde |
CAS: |
494769-34-5 |
Synonyms: |
N-(4-formyl-2-thiazolyl)carbamic acid tert-butyl ester; tert-butyl N-(4-formyl-1,3-thiazol-2-yl)carbamate |
IUPAC Name: | tert-butyl N-(4-formyl-1,3-thiazol-2-yl)carbamate |
Description: | 2-(Boc-amino)thiazole-4-carboxaldehyde (CAS# 494769-34-5) is a useful research chemical. |
Molecular Weight: | 228.27 |
Molecular Formula: | C9H12N2O3S |
Canonical SMILES: | CC(C)(C)OC(=O)NC1=NC(=CS1)C=O |
InChI: | InChI=1S/C9H12N2O3S/c1-9(2,3)14-8(13)11-7-10-6(4-12)5-15-7/h4-5H,1-3H3,(H,10,11,13) |
InChI Key: | WJJQIZYBOFGKLA-UHFFFAOYSA-N |
Density: | 1.32 g/cm3 |
MDL: | MFCD08275704 |
LogP: | 2.37560 |
Publication Number | Title | Priority Date |
WO-2020176863-A1 | Thiazole derivatives as protein secretion inhibitors | 20190228 |
US-2020131188-A1 | Pyrazolo-quinazoline derivatives as choline kinase inhibitors | 20170711 |
WO-2019011715-A1 | PYRAZOLO-QUINAZOLINE DERIVATIVES AS INHIBITORS OF CHOLINE KINASE | 20170711 |
US-11117901-B2 | Substituted pyrazolo[4,3-h]quinazolines as choline kinase inhibitors | 20170711 |
US-2016235716-A1 | Spirocyclic hat inhibitors and methods for their use | 20140918 |
Complexity: | 252 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.05686342 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.05686342 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 96.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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