4,5-Dimethyl-2-(1-methylethyl)thiazole

C₈H₁₃NSCAS 53498-30-9155.26 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₃NS
Molar mass: 155.26 g/mol
Exact mass: 155.0769 Da
logP: 2.88Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

53498-30-9

SMILES

Cc1nc(C(C)C)sc1C

InChIKey

GDYKEHYOOVICQZ-UHFFFAOYSA-N

InChI

InChI=1S/C8H13NS/c1-5(2)8-9-6(3)7(4)10-8/h5H,1-4H3

Weigh it out

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

Names and synonyms

3 names

Thiazole, 4,5-dimethyl-2-(1-methylethyl)-
2-Isopropyl-4,5-dimethylthiazole
4,5-Dimethyl-2-isopropylthiazole

Work with 4,5-Dimethyl-2-(1-methylethyl)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

2,4,5-Trimethylthiazole13623-11-550 % similar 2-Isobutyl-4,5-dimethylthiazole53498-32-148 % similar 4,5-Dimethyl-1,3-thiazol-2-amine2289-75-046 % similar 2-Ethyl-4,5-dimethylthiazole873-64-343 % similar 2-Amino-4,5-dimethylthiazole hydrochloride71574-33-942 % similar 2-Isopropyl-4-methylthiazole15679-13-739 % similar 5-Chloromethyl-2-isopropyl-thiazole40516-57-231 % similar Tetramethylpyrazine1124-11-430 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Methyl-2-(2-methylpropyl)thiazole61323-24-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook