2-(Dimethylaminomethyl)-4-thiazolemethanol

C₇H₁₂N₂OSCAS 78441-69-7172.25 g/mol

Open in Covalent MOL file

Alcohol Tertiary amine

Properties

Molecular formula: C₇H₁₂N₂OS
Molar mass: 172.25 g/mol
Exact mass: 172.0670 Da
logP: 0.70Crippen estimate
Polar surface area: 36.4 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 3

Hazards

H411 Toxic to aquatic life with long lasting effects97.4% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P391, P501

Identifiers

CAS number

78441-69-7

SMILES

CN(C)CC1=NC(=CS1)CO

InChIKey

BIEFSXASVIQOOS-UHFFFAOYSA-N

InChI

InChI=1S/C7H12N2OS/c1-9(2)3-7-8-6(4-10)5-11-7/h5,10H,3-4H2,1-2H3

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Names and synonyms

1 names

(2-((Dimethylamino)methyl)thiazol-4-yl)methanol

Work with 2-(Dimethylaminomethyl)-4-thiazolemethanol

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-Bromo-4-hydroxymethylthiazole5198-86-746 % similar (4-Bromo-1,3-thiazol-2-yl)methanol204513-31-538 % similar ((2-(Hydroxymethyl)-5-furyl)methyl)ammonium chloride81074-81-938 % similar Nizatidine76963-41-237 % similar 2-Ethyl-4-methyl thiazole15679-12-635 % similar 4-Hydroxymethylthiazole7036-04-633 % similar 2,6-Pyridinedimethanol1195-59-132 % similar 6-Methyl-2-pyridinemethanol1122-71-031 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(4-Morpholino)ethyl isothiocyanate63224-35-1

Elsewhere

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