chempirical

Diethyl 5-amino-3-methylthiophene-2,4-dicarboxylate

C11H15NO4SCAS 4815-30-9257.30 g/mol

Open in Covalent MOL file
OOSNH2OO
EsterPrimary amine

Properties

Molecular formula
C11H15NO4S
Molar mass
257.30 g/mol
Exact mass
257.0722 Da
Melting point
108–109 °C
logP
1.99Crippen estimate
Polar surface area
78.6 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
4

Identifiers

CAS number
4815-30-9
SMILES
CCOC(=O)c1sc(N)c(C(=O)OCC)c1C
InChIKey
DGVXLHAJVRRLGV-UHFFFAOYSA-N
InChI
InChI=1S/C11H15NO4S/c1-4-15-10(13)7-6(3)8(17-9(7)12)11(14)16-5-2/h4-5,12H2,1-3H3

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Names and synonyms

8 names
  • 2,4-Thiophenedicarboxylic acid, 5-amino-3-methyl-, 2,4-diethyl ester
  • 2,4-Thiophenedicarboxylic acid, 5-amino-3-methyl-, diethyl ester
  • 2-Amino-3,5-bis(ethoxycarbonyl)-4-methylthiophene
  • 2-Amino-3,5-dicarbethoxy-4-methylthiophene
  • NSC 149763
  • 5-Amino-3-methyl-2,4-thiophenedicarboxylic acid diethyl ester
  • Diethyl 2-amino-4-methylthiophene-3,5-dicarboxylate
  • 2,4-Diethyl 5-amino-3-methylthiophene-2,4-dicarboxylate

Work with Diethyl 5-amino-3-methylthiophene-2,4-dicarboxylate

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-4,5-dimethylthiophene-3-carboxylate4815-24-174 % similar Ethyl 2-amino-4,5,6,7-tetrahydrobenzo[B]thiophene-3-carboxylate4506-71-255 % similar Ethyl 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate4815-29-655 % similar 2-Amino-3-carboethoxy-5-methyl-4-phenylthiophene4815-37-652 % similar Ethyl 2-amino-5-methylthiophene-3-carboxylate4815-32-150 % similar 2-Amino-3-(ethoxycarbonyl)-4-phenylthiophene4815-36-546 % similar Ethyl 2,4-dimethyl-5-thiazolecarboxylate7210-77-745 % similar Ethyl 4-amino-2-(methylthio)-5-thiazolecarboxylate39736-29-344 % similar

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

Elsewhere

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