2-(Boc-amino)thiazole-4-carbonitrile - CAS 1210278-19-5
Catalog: |
BB005019 |
Product Name: |
2-(Boc-amino)thiazole-4-carbonitrile |
CAS: |
1210278-19-5 |
Synonyms: |
N-(4-cyano-2-thiazolyl)carbamic acid tert-butyl ester; tert-butyl N-(4-cyano-1,3-thiazol-2-yl)carbamate |
IUPAC Name: | tert-butyl N-(4-cyano-1,3-thiazol-2-yl)carbamate |
Description: | 2-(Boc-amino)thiazole-4-carbonitrile (CAS# 1210278-19-5) is a useful research chemical. |
Molecular Weight: | 225.27 |
Molecular Formula: | C9H11N3O2S |
Canonical SMILES: | CC(C)(C)OC(=O)NC1=NC(=CS1)C#N |
InChI: | InChI=1S/C9H11N3O2S/c1-9(2,3)14-8(13)12-7-11-6(4-10)5-15-7/h5H,1-3H3,(H,11,12,13) |
InChI Key: | NCIFXFYMOYDWHW-UHFFFAOYSA-N |
MDL: | MFCD12964063 |
LogP: | 2.43478 |
Publication Number | Title | Priority Date |
KR-101707761-B1 | Thiazole derivatives as inhibitors of bruton's tyrosine kinase | 20121213 |
KR-20150093238-A | Thiazole derivatives as inhibitors of bruton's tyrosine kinase | 20121213 |
Complexity: | 292 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 225.05719778 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 225.05719778 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 103 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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