chempirical

3-Amino-5-(tert-butyl)thiophene-2-carboxamide

C9H14N2OSCAS 175137-04-9198.28 g/mol

Open in Covalent MOL file
SONH2NH2
AmidePrimary amine

Properties

Molecular formula
C9H14N2OS
Molar mass
198.28 g/mol
Exact mass
198.0827 Da
logP
1.73Crippen estimate
Polar surface area
69.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Identifiers

CAS number
175137-04-9
SMILES
CC(C)(C)C1=CC(=C(S1)C(=O)N)N
InChIKey
MKHZJBZWKNDDCN-UHFFFAOYSA-N
InChI
InChI=1S/C9H14N2OS/c1-9(2,3)6-4-5(10)7(13-6)8(11)12/h4H,10H2,1-3H3,(H2,11,12)

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Type any one amount. The others follow from the molar mass.

Work with 3-Amino-5-(tert-butyl)thiophene-2-carboxamide

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

1-(3-Amino-5-tert-butylthiophen-2-yl)ethan-1-one175137-06-167 % similar Methyl 3-amino-5-tert-butylthiophene-2-carboxylate175137-03-862 % similar 3-Aminothiophene-2-carboxamide147123-47-543 % similar 1-[3-Amino-5-[4-(1,1-dimethylethyl)phenyl]-2-thienyl]ethanone306935-12-640 % similar 2-Acetyl-3-amino-5-phenylthiophene105707-24-232 % similar 2-Bromo-4-(tert-butyl)aniline103273-01-431 % similar 2-Amino-4-tert-butylphenol1199-46-831 % similar Methyl 3-amino-5-phenylthiophene-2-carboxylate100063-22-730 % similar

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

Elsewhere

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