Ethyl 5-amino-1,3,4-thiadiazole-2-carboxylate

C₅H₇N₃O₂SCAS 64837-53-2173.19 g/mol

Open in Covalent MOL file

Ester Primary amine

Properties

Molecular formula: C₅H₇N₃O₂S
Molar mass: 173.19 g/mol
Exact mass: 173.0259 Da
logP: 0.30Crippen estimate
Polar surface area: 78.1 Å²
H-bond donors / acceptors: 1 / 6
Rotatable bonds: 2

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

64837-53-2

SMILES

CCOC(=O)C1=NN=C(S1)N

InChIKey

YVKRWIVXIPGKTL-UHFFFAOYSA-N

InChI

InChI=1S/C5H7N3O2S/c1-2-10-4(9)3-7-8-5(6)11-3/h2H2,1H3,(H2,6,8)

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Names and synonyms

1 names

5-Amino-1,3,4-thiadiazole-2-carboxylic acid ethyl ester

Work with Ethyl 5-amino-1,3,4-thiadiazole-2-carboxylate

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-aminothiazole-5-carboxylate32955-21-855 % similar Ethyl 2-amino-4-methylthiazole-5-carboxylate7210-76-654 % similar Ethyl 2-amino-5-bromo-1,3-thiazole-4-carboxylate61830-21-552 % similar 5-Amino-1,3,4-oxadiazole-2-carboxylic acid ethyl ester4970-53-048 % similar Ethyl 2-amino-4-phenyl-5-thiazolecarboxylate64399-23-147 % similar Ethyl 4-methyl-1,2,3-thiadiazole-5-carboxylate18212-20-944 % similar Ethyl 1,2,3-thiadiazole-4-carboxylate3989-36-444 % similar Ethyl 4-amino-2-(methylthio)-5-thiazolecarboxylate39736-29-343 % similar

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

Elsewhere

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