chempirical

2-Thiophenecarboxamide

C5H5NOSCAS 5813-89-8127.16 g/mol

Open in Covalent MOL file
H2NOS
Amide

Properties

Molecular formula
C5H5NOS
Molar mass
127.16 g/mol
Exact mass
127.0092 Da
Melting point
181–183 °C
logP
0.85Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
5813-89-8
SMILES
NC(=O)c1cccs1
InChIKey
DENPQNAWGQXKCU-UHFFFAOYSA-N
InChI
InChI=1S/C5H5NOS/c6-5(7)4-2-1-3-8-4/h1-3H,(H2,6,7)

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Names and synonyms

3 names
  • 2-Thenamide
  • 2-(Aminocarbonyl)thiophene
  • NSC 109369

Work with 2-Thiophenecarboxamide

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-Thiophenecarbothioamide20300-02-152 % similar Thiophene-2-carboxylic acid527-72-052 % similar 2-Thiophenecarbonyl chloride5271-67-052 % similar 2-Acetylthiophene88-15-352 % similar Thiophene-2-carbohydrazide2361-27-552 % similar 2-Benzoylthiophene135-00-248 % similar 2-Bromo-1-(thiophen-2-yl)ethan-1-one10531-41-647 % similar 1-(2-Thienyl)-1-propanone13679-75-947 % similar

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

Same formula

2-Methylthiazole-5-carbaldehyde1003-60-7 2-Mercaptopyridine N-oxide1121-31-9 4-Methyl-1,3-thiazole-2-carbaldehyde13750-68-0 2-Acetylthiazole24295-03-2 Thiophene-2-aldoxime29683-84-9 4-Methyl-5-thiazolecarboxaldehyde82294-70-0

Elsewhere

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