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

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

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 names

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

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

Elsewhere

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