5-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]thiophene-2-carbonitrile

C12H11ClN2S2 — CID 115675506

IUPAC5-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]thiophene-2-carbonitrile
SMILESCC(NCc1ccc(C#N)s1)c1ccc(Cl)s1
InChIInChI=1S/C12H11ClN2S2/c1-8(11-4-5-12(13)17-11)15-7-10-3-2-9(6-14)16-10/h2-5,8,15H,7H2,1H3
InChIKeyKGFAKXCILYIOSJ-UHFFFAOYSA-N
MW282.82 g/mol
LogP4.19
Rot. Bonds4

About 5-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]thiophene-2-carbonitrile

5-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]thiophene-2-carbonitrile (PubChem CID 115675506) has the molecular formula C12H11ClN2S2 and a molecular weight of 282.82 g/mol. Its IUPAC name is 5-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]thiophene-2-carbonitrile
PubChem CID115675506
Molecular FormulaC12H11ClN2S2
Molecular Weight282.82 g/mol
Exact Mass282.01
IUPAC Name5-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]thiophene-2-carbonitrile
SMILESCC(NCc1ccc(C#N)s1)c1ccc(Cl)s1
InChIInChI=1S/C12H11ClN2S2/c1-8(11-4-5-12(13)17-11)15-7-10-3-2-9(6-14)16-10/h2-5,8,15H,7H2,1H3
InChIKeyKGFAKXCILYIOSJ-UHFFFAOYSA-N
XLogP4.19
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.82
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(1-cyanopropan-2-ylamino)methyl]thiophene-2-carbonitrile
CID 104586907
5-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]thiophene-2-carbonitrile
CID 104865144
5-[(3,3-dimethylbutan-2-ylamino)methyl]thiophene-2-carbonitrile
CID 115675860
5-[1-(2-methylpropylamino)ethyl]thiophene-2-carbonitrile
CID 115869616
5-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]thiophene-2-carbonitrile
CID 113481612
N-[1-(5-chlorothiophen-2-yl)ethyl]but-2-yn-1-amine
CID 62309744
5-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]thiophene-2-carbonitrile
CID 113250098
5-[1-(2-hydroxyethylamino)ethyl]thiophene-2-carbonitrile
CID 115905377
5-[(1-cyclopentylethylamino)methyl]thiophene-2-carbonitrile
CID 115675878
1-(5-chlorothiophen-2-yl)-N-[(4-fluorophenyl)methyl]ethanamine
CID 43427117
5-[(1-cyclopropylpropan-2-ylamino)methyl]thiophene-2-carbonitrile
CID 115675866
5-[(heptan-2-ylamino)methyl]thiophene-2-carbonitrile
CID 115675332

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]thiophene-2-carbonitrile?
The IUPAC name of 5-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]thiophene-2-carbonitrile (CID 115675506) is 5-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]thiophene-2-carbonitrile is CC(NCc1ccc(C#N)s1)c1ccc(Cl)s1.
What is the InChIKey of 5-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]thiophene-2-carbonitrile?
The InChIKey is KGFAKXCILYIOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2S2/c1-8(11-4-5-12(13)17-11)15-7-10-3-2-9(6-14)16-10/h2-5,8,15H,7H2,1H3.
What are the key properties of 5-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]thiophene-2-carbonitrile?
5-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]thiophene-2-carbonitrile has a molecular weight of 282.82 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]thiophene-2-carbonitrile is sourced from PubChem (CID 115675506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).