5-[[2-(dimethylamino)anilino]methyl]thiophene-2-carbonitrile

C14H15N3S — CID 113281796

IUPAC5-[[2-(dimethylamino)anilino]methyl]thiophene-2-carbonitrile
SMILESCN(C)c1ccccc1NCc1ccc(C#N)s1
InChIInChI=1S/C14H15N3S/c1-17(2)14-6-4-3-5-13(14)16-10-12-8-7-11(9-15)18-12/h3-8,16H,10H2,1-2H3
InChIKeySOCAQKSFQABDKQ-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.30
Rot. Bonds4

About 5-[[2-(dimethylamino)anilino]methyl]thiophene-2-carbonitrile

5-[[2-(dimethylamino)anilino]methyl]thiophene-2-carbonitrile (PubChem CID 113281796) has the molecular formula C14H15N3S and a molecular weight of 257.36 g/mol. Its IUPAC name is 5-[[2-(dimethylamino)anilino]methyl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[[2-(dimethylamino)anilino]methyl]thiophene-2-carbonitrile
PubChem CID113281796
Molecular FormulaC14H15N3S
Molecular Weight257.36 g/mol
Exact Mass257.10
IUPAC Name5-[[2-(dimethylamino)anilino]methyl]thiophene-2-carbonitrile
SMILESCN(C)c1ccccc1NCc1ccc(C#N)s1
InChIInChI=1S/C14H15N3S/c1-17(2)14-6-4-3-5-13(14)16-10-12-8-7-11(9-15)18-12/h3-8,16H,10H2,1-2H3
InChIKeySOCAQKSFQABDKQ-UHFFFAOYSA-N
XLogP3.30
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-cyanoanilino)methyl]thiophene-2-carbonitrile
CID 113481571
1-N-[(5-bromothiophen-2-yl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726526
5-[(2-ethoxyanilino)methyl]thiophene-2-carbonitrile
CID 113250104
5-[(2-ethylsulfanylanilino)methyl]thiophene-2-carbonitrile
CID 113268266
5-[[2-(2-methylpropoxy)anilino]methyl]thiophene-2-carbonitrile
CID 115743830
methyl 2-[5-[[2-(dimethylamino)anilino]methyl]thiophen-2-yl]acetate
CID 82887111
methyl 3-[(5-cyanothiophen-2-yl)methylamino]-2-methylbenzoate
CID 115975897
5-[(5-bromo-2-methylanilino)methyl]thiophene-2-carbonitrile
CID 115742776
5-[[(1,5-dimethylpyrazol-4-yl)amino]methyl]thiophene-2-carbonitrile
CID 115899681
2-[(5-methylthiophen-2-yl)methylamino]benzonitrile
CID 28615853
5-[(2,4-dimethoxyanilino)methyl]thiophene-2-carbonitrile
CID 115675634
2-[[2-(dimethylamino)anilino]methyl]phenol
CID 43726496

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(dimethylamino)anilino]methyl]thiophene-2-carbonitrile?
The IUPAC name of 5-[[2-(dimethylamino)anilino]methyl]thiophene-2-carbonitrile (CID 113281796) is 5-[[2-(dimethylamino)anilino]methyl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[[2-(dimethylamino)anilino]methyl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[[2-(dimethylamino)anilino]methyl]thiophene-2-carbonitrile is CN(C)c1ccccc1NCc1ccc(C#N)s1.
What is the InChIKey of 5-[[2-(dimethylamino)anilino]methyl]thiophene-2-carbonitrile?
The InChIKey is SOCAQKSFQABDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S/c1-17(2)14-6-4-3-5-13(14)16-10-12-8-7-11(9-15)18-12/h3-8,16H,10H2,1-2H3.
What are the key properties of 5-[[2-(dimethylamino)anilino]methyl]thiophene-2-carbonitrile?
5-[[2-(dimethylamino)anilino]methyl]thiophene-2-carbonitrile has a molecular weight of 257.36 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(dimethylamino)anilino]methyl]thiophene-2-carbonitrile is sourced from PubChem (CID 113281796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).