5-Methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid hydrochloride

C₈H₁₁ClN₂O₂SCAS 720720-96-7234.70 g/mol

Open in Covalent MOL file

Carboxylic acid Tertiary amine

Properties

Molecular formula: C₈H₁₁ClN₂O₂S
Molar mass: 234.70 g/mol
Exact mass: 234.0230 Da
logP: 1.25Crippen estimate
Polar surface area: 53.4 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed20% of notifiers
H315 Causes skin irritation20% of notifiers
H319 Causes serious eye irritation20% of notifiers
H335 May cause respiratory irritation20% of notifiers

Aggregated from 5 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

720720-96-7

SMILES

CN1CCC2=C(C1)SC(=N2)C(=O)O.Cl

InChIKey

ZWIYEBIMFPQYDI-UHFFFAOYSA-N

InChI

InChI=1S/C8H10N2O2S.ClH/c1-10-3-2-5-6(4-10)13-7(9-5)8(11)12;/h2-4H2,1H3,(H,11,12);1H

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Names and synonyms

1 name

5-Methyl-4,5,6,7-tetrahydrothiazolo[5,4-C]pyridine-2-carboxylic acid hydrochloride

Work with 5-Methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid 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

Similar compounds

4-((4-Methyl-1-piperazinyl)methyl)benzoic acid dihydrochloride106261-49-838 % similar Edoxaban480449-70-533 % similar 1,1-Dimethylethyl 2-amino-6,7-dihydrothiazolo[5,4-c]pyridine-5(4H)-carboxylate365996-05-032 % similar tert-Butyl 2-bromo-6,7-dihydrothiazolo[5,4-C]pyridine-5(4H)-carboxylate365996-06-132 % similar 4-(4-Methyl-1-piperazinylmethyl)benzoic acid106261-48-732 % similar 4-(4-Methylpiperazino)benzoic acid86620-62-431 % similar Prl-8-5351352-87-531 % similar 4-Methyl-2-thiazolecarboxylic acid14542-16-631 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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