2-Isobutyl-4,5-dimethylthiazole

C₉H₁₅NSCAS 53498-32-1169.29 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₅NS
Molar mass: 169.29 g/mol
Exact mass: 169.0925 Da
logP: 2.96Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Identifiers

CAS number

53498-32-1

SMILES

Cc1nc(CC(C)C)sc1C

InChIKey

NSVPHVLZAKJSGV-UHFFFAOYSA-N

InChI

InChI=1S/C9H15NS/c1-6(2)5-9-10-7(3)8(4)11-9/h6H,5H2,1-4H3

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Names and synonyms

3 names

Thiazole, 4,5-dimethyl-2-(2-methylpropyl)-
4,5-Dimethyl-2-(2-methylpropyl)thiazole
4,5-Dimethyl-2-isobutylthiazole

Work with 2-Isobutyl-4,5-dimethylthiazole

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

2-Ethyl-4,5-dimethylthiazole873-64-357 % similar 4,5-Dimethyl-2-(1-methylethyl)thiazole53498-30-948 % similar 2,4,5-Trimethylthiazole13623-11-543 % similar 4-Methyl-2-(2-methylpropyl)thiazole61323-24-843 % similar 2-Isobutyl-3-methylpyrazine13925-06-937 % similar 2-Isobutylthiazole18640-74-937 % similar

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

Elsewhere

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