1-(2-Isopropyl-1,3-thiazol-4-yl)-N-methylmethanamine dihydrochloride

C₈H₁₆Cl₂N₂SCAS 1185167-55-8243.19 g/mol

Open in Covalent MOL file

Secondary amine

Properties

Molecular formula: C₈H₁₆Cl₂N₂S
Molar mass: 243.19 g/mol
Exact mass: 242.0411 Da
logP: 2.83Crippen estimate
Polar surface area: 24.9 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed66.7% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation33.3% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H411 Toxic to aquatic life with long lasting effects33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P391, P501

Identifiers

CAS number

1185167-55-8

SMILES

CNCc1csc(C(C)C)n1.Cl.Cl

InChIKey

GNPOLJYMEXUGCG-UHFFFAOYSA-N

InChI

InChI=1S/C8H14N2S.2ClH/c1-6(2)8-10-7(4-9-3)5-11-8;;/h5-6,9H,4H2,1-3H3;2*1H

Weigh it out

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

Names and synonyms

3 names

4-Thiazolemethanamine, N-methyl-2-(1-methylethyl)-, hydrochloride (1:2)
2-Isopropyl-4-(methylaminomethyl)thiazole dihydrochloride
2-Isopropyl-4-(N-methylaminomethyl)thiazole dihydrochloride

Work with 1-(2-Isopropyl-1,3-thiazol-4-yl)-N-methylmethanamine dihydrochloride

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

N-Methyl-2-(1-methylethyl)-4-thiazolemethanamine154212-60-9Free base 2-Isopropyl-4-((N-methylamino)methyl)thiazole hydrochloride908591-25-3Salt

Similar compounds

5-Chloromethyl-2-isopropyl-thiazole40516-57-256 % similar 2-Isopropyl-4-methylthiazole15679-13-744 % similar Ureidovaline154212-61-034 % similar 1-Methyl-3-((methylamino)methyl)-1h-pyrazole-5-carbonitrile hydrochloride salt1643141-20-133 % similar 4-Chloromethyl-2-methylthiazole hydrochloride77470-53-233 % similar

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

Elsewhere

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