2-Isopropyl-4-((N-methylamino)methyl)thiazole hydrochloride

C₈H₁₅ClN₂SCAS 908591-25-3206.73 g/mol

Open in Covalent MOL file

Secondary amine

Properties

Molecular formula: C₈H₁₅ClN₂S
Molar mass: 206.73 g/mol
Exact mass: 206.0644 Da
logP: 2.41Crippen estimate
Polar surface area: 24.9 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

908591-25-3

SMILES

CC(C)C1=NC(=CS1)CNC.Cl

InChIKey

MZHCXYATKCSZHX-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

2-Isopropyl-4-[(N-methylamino)methyl]thiazole hydrochloride

Work with 2-Isopropyl-4-((N-methylamino)methyl)thiazole hydrochloride

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 1-(2-Isopropyl-1,3-thiazol-4-yl)-N-methylmethanamine dihydrochloride1185167-55-8Salt

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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