2-Isopropyl-4-methylthiazole

C₇H₁₁NSCAS 15679-13-7141.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₁₁NS
Molar mass: 141.23 g/mol
Exact mass: 141.0612 Da
Density: 1.001–1.006 g/mL
logP: 2.57Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H226 Flammable liquid and vapor10.2% of notifiers
H302 Harmful if swallowed94.4% of notifiers

Aggregated from 1,753 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, P501

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 and density.

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

2,4-Dimethylthiazole541-58-254 % similar 5-Chloromethyl-2-isopropyl-thiazole40516-57-250 % similar 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-Bromo-4-methyl-1,3-thiazole7238-61-145 % similar 1-(2-Isopropyl-1,3-thiazol-4-yl)-N-methylmethanamine dihydrochloride1185167-55-844 % similar 2-Isopropyl-4-((N-methylamino)methyl)thiazole hydrochloride908591-25-344 % 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

PubChem CAS Common Chemistry NIST WebBook