chempirical

4-Thiazolecarboxylic acid, 2-amino-, ethyl ester, hydrochloride (1:1)

C6H9ClN2O2SCAS 435342-17-9208.66 g/mol

Open in Covalent MOL file
OOSNHHNHCl
Ester

Properties

Molecular formula
C6H9ClN2O2S
Molar mass
208.66 g/mol
Exact mass
208.0073 Da
logP
1.15Crippen estimate
Polar surface area
65.9 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2

Identifiers

CAS number
435342-17-9
SMILES
CCOC(=O)c1csc(=N)[nH]1.Cl
InChIKey
USZSUEYWDNADOK-UHFFFAOYSA-N
InChI
InChI=1S/C6H8N2O2S.ClH/c1-2-10-5(9)4-3-11-6(7)8-4;/h3H,2H2,1H3,(H2,7,8);1H

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Names and synonyms

1 names
  • 4-Thiazolecarboxylic acid, 2-amino-, ethyl ester, monohydrochloride

Work with 4-Thiazolecarboxylic acid, 2-amino-, ethyl ester, hydrochloride (1:1)

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

Ethyl 2-amino-4-thiazolecarboxylate5398-36-791 % similar Ethyl 2-amino-4-thiazoleacetate53266-94-755 % similar Ethyl (αz)-2-amino-α-(hydroxyimino)-4-thiazoleacetate64485-82-154 % similar Ethyl (αz)-2-amino-α-(methoxyimino)-4-thiazoleacetate64485-88-753 % similar 2-Amino-6-carbethoxybenzothiazole50850-93-648 % similar Ethyl 5-methylpyrrole-2-carboxylate3284-51-348 % similar Ethyl 2-amino-4-(trifluoromethyl)thiazole-5-carboxylate344-72-946 % similar 4-(Chloromethyl)-2-thiazolamine hydrochloride59608-97-844 % similar

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

Same formula

1,3,5-Trimethyl-1H-pyrazole-4-sulfonyl chloride59340-27-1

Elsewhere

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