2-Aminobenzothiazole-6-boronic Acid Pinacol Ester - CAS 1244041-62-0
Catalog: |
BB005888 |
Product Name: |
2-Aminobenzothiazole-6-boronic Acid Pinacol Ester |
CAS: |
1244041-62-0 |
Synonyms: |
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-amine; 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-amine |
IUPAC Name: | 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-amine |
Description: | 2-Aminobenzothiazole-6-boronic Acid Pinacol Ester (CAS# 1244041-62-0 ) is a useful research chemical. |
Molecular Weight: | 276.16 |
Molecular Formula: | C13H17N2O2SB |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N=C(S3)N |
InChI: | InChI=1S/C13H17BN2O2S/c1-12(2)13(3,4)18-14(17-12)8-5-6-9-10(7-8)19-11(15)16-9/h5-7H,1-4H3,(H2,15,16) |
InChI Key: | NXZCACNCWPZWPO-UHFFFAOYSA-N |
LogP: | 2.10780 |
Publication Number | Title | Priority Date |
WO-2020192562-A1 | Substituted heterocyclic amide compound and preparation method therefor and pharmaceutical use thereof | 20190322 |
CN-113508109-A | Substituted heterocyclic amide compound, preparation method and medical application thereof | 20190322 |
EP-3901139-A1 | Novel hydrazone derivative with aryl or heteroaryl group substituted at terminal amine group thereof and use thereof | 20181219 |
KR-20200051832-A | Benzothiazole compounds and methods of their use to treat neurodegenerative diseases | 20171002 |
US-10669246-B2 | Benzothiazol compounds and methods using the same for treating neurodegenerative disorders | 20171002 |
Complexity: | 351 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 276.1103791 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 276.1103791 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 85.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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