chempirical

Ethyl 2-amino-4-methylthiophene-3-carboxylate

C8H11NO2SCAS 43088-42-2185.24 g/mol

Open in Covalent MOL file
OOSH2N
EsterPrimary amine

Properties

Molecular formula
C8H11NO2S
Molar mass
185.24 g/mol
Exact mass
185.0510 Da
logP
1.82Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
1 / 4
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
43088-42-2
SMILES
CCOC(=O)C1=C(SC=C1C)N
InChIKey
ILYCZKOBLRJJSW-UHFFFAOYSA-N
InChI
InChI=1S/C8H11NO2S/c1-3-11-8(10)6-5(2)4-12-7(6)9/h4H,3,9H2,1-2H3

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Work with Ethyl 2-amino-4-methylthiophene-3-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

2-Amino-3-(ethoxycarbonyl)-4-phenylthiophene4815-36-560 % similar 2-Amino-4-(4-bromophenyl)thiophene-3-carboxylic acid ethyl ester306934-99-657 % similar Ethyl 2-amino-4-(4-fluorophenyl)thiophene-3-carboxylate35978-33-757 % similar Ethyl 2-amino-4-(4-chlorophenyl)thiophene-3-carboxylate65234-09-557 % similar Ethyl 2-amino-4-(4-methoxyphenyl)thiophene-3-carboxylate15854-11-255 % similar 2-Amino-4-methylthiophene-3-carboxamide4651-97-255 % similar Ethyl 2-amino-4,5-dimethylthiophene-3-carboxylate4815-24-155 % similar Diethyl 5-amino-3-methylthiophene-2,4-dicarboxylate4815-30-955 % similar

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

Same formula

4-Ethylbenzenesulfonamide138-38-5 Methyl 3-amino-3-(2-thienyl)propanoate188812-40-0 2-Amino-5-ethyl-3-thiophenecarboxylic acid methyl ester19156-63-9 (βS)-β-Amino-3-thiophenebutanoic acid270262-99-2 2-Amino-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester4651-93-8 Ethyl 2-amino-5-methylthiophene-3-carboxylate4815-32-1 N-Methyl-p-toluenesulfonamide640-61-9 5-(2-Acetoxyethyl)-4-methylthiazole656-53-1

Elsewhere

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