Ethyl 2-amino-4-(4-methoxyphenyl)thiophene-3-carboxylate

C14H15NO3SCAS 15854-11-2277.34 g/mol

Open in Covalent MOL file
OOSOH2N
EsterEtherPrimary amine

Properties

Molecular formula
C14H15NO3S
Molar mass
277.34 g/mol
Exact mass
277.0773 Da
logP
3.18Crippen estimate
Polar surface area
61.5 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
15854-11-2
SMILES
CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)N
InChIKey
ZUOUKGJUHCKVDK-UHFFFAOYSA-N
InChI
InChI=1S/C14H15NO3S/c1-3-18-14(16)12-11(8-19-13(12)15)9-4-6-10(17-2)7-5-9/h4-8H,3,15H2,1-2H3

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Names and synonyms

1 names
  • Ethyl 2-amino-4-(4-methoxyphenyl)-3-thiophenecarboxylate

Work with Ethyl 2-amino-4-(4-methoxyphenyl)thiophene-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

Ethyl 2-amino-4-phenylthiophene-3-carboxylate4815-36-573 % similar 2-Amino-4-(4-bromophenyl)thiophene-3-carboxylic acid ethyl ester306934-99-672 % similar Ethyl 2-amino-4-(4-fluorophenyl)thiophene-3-carboxylate35978-33-772 % similar Ethyl 2-amino-4-(4-chlorophenyl)thiophene-3-carboxylate65234-09-572 % similar Ethyl 4'-methoxy[1,1'-biphenyl]-4-carboxylate732-80-957 % similar Ethyl 2-amino-4-methylthiophene-3-carboxylate43088-42-255 % similar Ethyl 4-methoxybenzoate94-30-453 % similar Ethyl 2-aminothiophene-3-carboxylate31891-06-245 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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