1-(3-Amino-5-(4-(1,1-dimethylethyl)phenyl)-2-thienyl)ethanone

C16H19NOSCAS 306935-12-6273.39 g/mol

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OSH2N
KetonePrimary amine

Properties

Molecular formula
C16H19NOS
Molar mass
273.39 g/mol
Exact mass
273.1187 Da
logP
4.50Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
306935-12-6
SMILES
CC(=O)c1sc(-c2ccc(C(C)(C)C)cc2)cc1N
InChIKey
HOQOBNCJEIGGEO-UHFFFAOYSA-N
InChI
InChI=1S/C16H19NOS/c1-10(18)15-13(17)9-14(19-15)11-5-7-12(8-6-11)16(2,3)4/h5-9H,17H2,1-4H3

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Names and synonyms

3 names
  • 1-[3-Amino-5-[4-(1,1-dimethylethyl)phenyl]-2-thienyl]ethanone
  • Ethanone, 1-[3-amino-5-[4-(1,1-dimethylethyl)phenyl]-2-thienyl]-
  • 1-[3-Amino-5-(4-tert-butylphenyl)thiophen-2-yl]ethanone

Work with 1-(3-Amino-5-(4-(1,1-dimethylethyl)phenyl)-2-thienyl)ethanone

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-Acetyl-3-amino-5-phenylthiophene105707-24-270 % similar 1-(3-Amino-5-tert-butylthiophen-2-yl)ethan-1-one175137-06-161 % similar 4′-tert-Butylacetophenone943-27-148 % similar Methyl 3-amino-5-(4-fluorophenyl)thiophene-2-carboxylate175137-08-345 % similar Methyl 3-amino-5-(4-chlorophenyl)thiophene-2-carboxylate91076-93-645 % similar Methyl 3-amino-5-phenylthiophene-2-carboxylate100063-22-745 % similar 2-Acetyl-3-aminothiophene31968-33-943 % similar 3-Amino-5-(tert-butyl)thiophene-2-carboxamide175137-04-940 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

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