5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole

C₉H₁₄BNO₂SCAS 1086111-09-2211.09 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₄BNO₂S
Molar mass: 211.09 g/mol
Exact mass: 211.0838 Da
logP: 1.44Crippen estimate
Polar surface area: 31.4 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 1

Identifiers

CAS number

1086111-09-2

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CN=CS2

InChIKey

ODYWLZYOVWNCGN-UHFFFAOYSA-N

InChI

InChI=1S/C9H14BNO2S/c1-8(2)9(3,4)13-10(12-8)7-5-11-6-14-7/h5-6H,1-4H3

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Names and synonyms

1 names

5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)thiazole

Work with 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carbaldehyde1040281-83-144 % similar 2-Chloropyrimidine-5-boronic acid pinacol ester1003845-08-642 % similar 4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine1171891-31-841 % similar 3-Bromo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine458532-92-840 % similar 3-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyridine1084953-47-839 % similar 1-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole761446-44-038 % similar 5-Cyanopyridine-2-boronic acid pinacol ester1073353-83-938 % similar 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinecarbonitrile878194-92-437 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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