chempirical

2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C9H12N2OSCAS 4815-28-5196.27 g/mol

Open in Covalent MOL file
SH2NOH2N
AmidePrimary amine

Properties

Molecular formula
C9H12N2OS
Molar mass
196.27 g/mol
Exact mass
196.0670 Da
logP
1.31Crippen estimate
Polar surface area
69.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

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
4815-28-5
SMILES
C1CCC2=C(C1)C(=C(S2)N)C(=O)N
InChIKey
FFAKFORHXDNYEN-UHFFFAOYSA-N
InChI
InChI=1S/C9H12N2OS/c10-8(12)7-5-3-1-2-4-6(5)13-9(7)11/h1-4,11H2,(H2,10,12)

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Work with 2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-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

2-Amino-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide77651-38-893 % similar 2-Amino-4,5,6,7-tetrahydro-benzo[B]thiophene-3-carboxylic acid methyl ester108354-78-559 % similar Ethyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate4506-71-256 % similar 2-Amino-5,6-dihydro-4H-cyclopenta[B]thiophene-3-carboxylic acid methyl ester184174-80-955 % similar Ethyl 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate4815-29-652 % similar 2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile4651-91-644 % similar 2-Amino-5,6-dihydro-4H-cyclopenta[B]thiophene-3-carbonitrile70291-62-240 % similar 2-(((5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetyl)amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide489408-02-837 % similar

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

Elsewhere

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