chempirical

2-Isopropyl-4-methylthiazole

C7H11NSCAS 15679-13-7141.23 g/mol

Open in Covalent MOL file
SN

Properties

Molecular formula
C7H11NS
Molar mass
141.23 g/mol
Exact mass
141.0612 Da
logP
2.57Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
15679-13-7
SMILES
Cc1csc(C(C)C)n1
InChIKey
OFLXNHNYPQPQKW-UHFFFAOYSA-N
InChI
InChI=1S/C7H11NS/c1-5(2)7-8-6(3)4-9-7/h4-5H,1-3H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names
  • Thiazole, 4-methyl-2-(1-methylethyl)-
  • Thiazole, 2-isopropyl-4-methyl-
  • 4-Methyl-2-(1-methylethyl)thiazole

Work with 2-Isopropyl-4-methylthiazole

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

N-Methyl-2-(1-methylethyl)-4-thiazolemethanamine154212-60-948 % similar 4-Methyl-2-(2-methylpropyl)thiazole61323-24-847 % similar 4-Methyl-2(3H)-thiazolethione4498-39-946 % similar 2-Isopropyl-4-(methylaminomethyl)thiazole dihydrochloride1185167-55-844 % similar 2-Ethyl-4-methylthiazole15679-12-642 % similar 4,5-Dimethyl-2-(1-methylethyl)thiazole53498-30-939 % similar 4-Methyl-2-thiazolecarboxylic acid14542-16-637 % similar 2-Isopropyl-6-methyl-4-pyrimidinol2814-20-234 % similar

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

Same formula

Cyclohexyl isothiocyanate1122-82-3 2-sec-Butylthiazole18277-27-5 2-Isobutylthiazole18640-74-9 2-Ethyl-4,5-dimethylthiazole873-64-3

Elsewhere

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