2-Acetamidobenzothiazole-6-boronic Acid Pinacol Ester - CAS 885069-14-7
Catalog: |
BB038898 |
Product Name: |
2-Acetamidobenzothiazole-6-boronic Acid Pinacol Ester |
CAS: |
885069-14-7 |
Synonyms: |
N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide; N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide |
IUPAC Name: | N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide |
Description: | 2-Acetamidobenzothiazole-6-boronic Acid Pinacol Ester (CAS# 885069-14-7 ) is a useful research chemical. |
Molecular Weight: | 318.20 |
Molecular Formula: | C15H19N2O3SB |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N=C(S3)NC(=O)C |
InChI: | InChI=1S/C15H19BN2O3S/c1-9(19)17-13-18-11-7-6-10(8-12(11)22-13)16-20-14(2,3)15(4,5)21-16/h6-8H,1-5H3,(H,17,18,19) |
InChI Key: | CBVRCXVIFJCOJK-UHFFFAOYSA-N |
MDL: | MFCD22571502 |
LogP: | 2.62690 |
Publication Number | Title | Priority Date |
WO-2020146858-A1 | Heteroaryl compounds as necrosis inhibitors, composition and method using the same | 20190111 |
US-2020223827-A1 | 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same | 20181214 |
TW-202039447-A | 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same | 20181214 |
KR-20210092312-A | 3,3-difluoroallylamine or salts thereof and pharmaceutical compositions comprising the same | 20181214 |
JP-2019521994-A | Heteroaryl compounds that are necrosis inhibitors, compositions and uses thereof | 20160722 |
Complexity: | 444 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 318.1209438 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 318.1209438 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 88.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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