2-(Benzylamino)-4,5-dimethylthiophene-3-carbonitrile

HCID 319451
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Basic information

Standard SMILES
Cc1sc(NCc2ccccc2)c(C#N)c1C
InChIKey
MESIJCBNKWNERH-UHFFFAOYSA-N
Molecular formula
C14H14N2S
Average molar mass
242.34 g/mol

Names & identifiers

Preferred name
2-(Benzylamino)-4,5-dimethylthiophene-3-carbonitrile
IUPAC
2-(benzylamino)-4,5-dimethylthiophene-3-carbonitrile

Names & synonyms

NSC2637132-(benzylamino)-4,5-dimethylthiophene-3-carbonitrileSCHEMBL1621824MESIJCBNKWNERH-UHFFFAOYSA-NNSC-263713

Database identifiers

PubChem CID
319451

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
64.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
17

Related reactions

14 records
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Compound notes

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