5-[4-[1-(ethylamino)propyl]phenyl]thiophene-2-carbonitrile

C16H18N2S — CID 55030255

IUPAC5-[4-[1-(ethylamino)propyl]phenyl]thiophene-2-carbonitrile
SMILESCCNC(CC)c1ccc(-c2ccc(C#N)s2)cc1
InChIInChI=1S/C16H18N2S/c1-3-15(18-4-2)12-5-7-13(8-6-12)16-10-9-14(11-17)19-16/h5-10,15,18H,3-4H2,1-2H3
InChIKeyFIAJAABFPRKPBD-UHFFFAOYSA-N
MW270.40 g/mol
LogP4.35
Rot. Bonds5

About 5-[4-[1-(ethylamino)propyl]phenyl]thiophene-2-carbonitrile

5-[4-[1-(ethylamino)propyl]phenyl]thiophene-2-carbonitrile (PubChem CID 55030255) has the molecular formula C16H18N2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 5-[4-[1-(ethylamino)propyl]phenyl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[4-[1-(ethylamino)propyl]phenyl]thiophene-2-carbonitrile
PubChem CID55030255
Molecular FormulaC16H18N2S
Molecular Weight270.40 g/mol
Exact Mass270.12
IUPAC Name5-[4-[1-(ethylamino)propyl]phenyl]thiophene-2-carbonitrile
SMILESCCNC(CC)c1ccc(-c2ccc(C#N)s2)cc1
InChIInChI=1S/C16H18N2S/c1-3-15(18-4-2)12-5-7-13(8-6-12)16-10-9-14(11-17)19-16/h5-10,15,18H,3-4H2,1-2H3
InChIKeyFIAJAABFPRKPBD-UHFFFAOYSA-N
XLogP4.35
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[1-(4-methylphenyl)propylamino]methyl]thiophene-2-carbonitrile
CID 115675381
5-[3-[1-(methylamino)propyl]phenyl]thiophene-2-carbonitrile
CID 55030874
3-[4-[1-(ethylamino)propyl]phenyl]benzonitrile
CID 61026220
5-[[1-(4-bromophenyl)propylamino]methyl]thiophene-2-carbonitrile
CID 115675377
N-ethyl-1-(5-phenylthiophen-2-yl)propan-1-amine
CID 43288007
4-[4-[1-(ethylamino)propyl]phenyl]-N,N-dimethylaniline
CID 61025300
5-[5-(5-cyanothiophen-2-yl)thiophen-2-yl]thiophene-2-carbonitrile
CID 11500375
N-ethyl-1-[5-(4-methylphenyl)thiophen-2-yl]butan-1-amine
CID 43287471
N-ethyl-1-[4-(4-fluoro-3-methylphenyl)phenyl]propan-1-amine
CID 63424528
1-[5-(3,5-dichloro-4-fluorophenyl)thiophen-2-yl]-N-ethylpropan-1-amine
CID 107577037
N-ethyl-1-(4-pyrazin-2-ylphenyl)propan-1-amine
CID 63970247
N-ethyl-1-[5-(4-ethylphenyl)thiophen-2-yl]butan-1-amine
CID 43287717

Frequently Asked Questions

What is the IUPAC name of 5-[4-[1-(ethylamino)propyl]phenyl]thiophene-2-carbonitrile?
The IUPAC name of 5-[4-[1-(ethylamino)propyl]phenyl]thiophene-2-carbonitrile (CID 55030255) is 5-[4-[1-(ethylamino)propyl]phenyl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[4-[1-(ethylamino)propyl]phenyl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[4-[1-(ethylamino)propyl]phenyl]thiophene-2-carbonitrile is CCNC(CC)c1ccc(-c2ccc(C#N)s2)cc1.
What is the InChIKey of 5-[4-[1-(ethylamino)propyl]phenyl]thiophene-2-carbonitrile?
The InChIKey is FIAJAABFPRKPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2S/c1-3-15(18-4-2)12-5-7-13(8-6-12)16-10-9-14(11-17)19-16/h5-10,15,18H,3-4H2,1-2H3.
What are the key properties of 5-[4-[1-(ethylamino)propyl]phenyl]thiophene-2-carbonitrile?
5-[4-[1-(ethylamino)propyl]phenyl]thiophene-2-carbonitrile has a molecular weight of 270.40 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[1-(ethylamino)propyl]phenyl]thiophene-2-carbonitrile is sourced from PubChem (CID 55030255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).