5-(aminomethyl)thiophene-2-carbonitrile;5-(methylaminomethyl)thiophene-2-carbonitrile

C13H14N4S2 — CID 159467647

IUPAC5-(aminomethyl)thiophene-2-carbonitrile;5-(methylaminomethyl)thiophene-2-carbonitrile
SMILESCNCc1ccc(C#N)s1.N#Cc1ccc(CN)s1
InChIInChI=1S/C7H8N2S.C6H6N2S/c1-9-5-7-3-2-6(4-8)10-7;7-3-5-1-2-6(4-8)9-5/h2-3,9H,5H2,1H3;1-2H,3,7H2
InChIKeyLVJVYRZGVASGOF-UHFFFAOYSA-N
MW290.42 g/mol
LogP2.42
Rot. Bonds3

About 5-(aminomethyl)thiophene-2-carbonitrile;5-(methylaminomethyl)thiophene-2-carbonitrile

5-(aminomethyl)thiophene-2-carbonitrile;5-(methylaminomethyl)thiophene-2-carbonitrile (PubChem CID 159467647) has the molecular formula C13H14N4S2 and a molecular weight of 290.42 g/mol. Its IUPAC name is 5-(aminomethyl)thiophene-2-carbonitrile;5-(methylaminomethyl)thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-(aminomethyl)thiophene-2-carbonitrile;5-(methylaminomethyl)thiophene-2-carbonitrile
PubChem CID159467647
Molecular FormulaC13H14N4S2
Molecular Weight290.42 g/mol
Exact Mass290.07
IUPAC Name5-(aminomethyl)thiophene-2-carbonitrile;5-(methylaminomethyl)thiophene-2-carbonitrile
SMILESCNCc1ccc(C#N)s1.N#Cc1ccc(CN)s1
InChIInChI=1S/C7H8N2S.C6H6N2S/c1-9-5-7-3-2-6(4-8)10-7;7-3-5-1-2-6(4-8)9-5/h2-3,9H,5H2,1H3;1-2H,3,7H2
InChIKeyLVJVYRZGVASGOF-UHFFFAOYSA-N
XLogP2.42
TPSA85.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.42
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Bis((thiophen-2-yl)methyl)amine
CID 252453
Di-2-thenylamine hydrochloride
CID 24212013
(5-((Dimethylamino)methyl)thiophen-2-yl)methanamine
CID 20098884
N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 961381
N-methyl-N,N-bis[(5-methyl-2-thienyl)methyl]amine
CID 45382079
Mdl 29431
CID 192499
n-((5-Methylthiophen-2-yl)methyl)-2-(thiophen-2-yl)ethan-1-amine
CID 8024971
[(5-Methyl-2-thienyl)methyl](2-thienylmethyl)amine
CID 914033
N-(2-thien-2-ylethyl)-N-(thien-2-ylmethyl)amine
CID 7130982
N-(thiophen-2-ylmethyl)thiophene-2-carbothioamide
CID 176426122
N'-(thiophen-2-ylmethyl)-N-[2-[2-[6-(thiophen-2-ylmethylamino)hexylamino]ethyldisulfanyl]ethyl]hexane-1,6-diamine
CID 13500956
2-(5-Methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetonitrile
CID 61345594

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)thiophene-2-carbonitrile;5-(methylaminomethyl)thiophene-2-carbonitrile?
The IUPAC name of 5-(aminomethyl)thiophene-2-carbonitrile;5-(methylaminomethyl)thiophene-2-carbonitrile (CID 159467647) is 5-(aminomethyl)thiophene-2-carbonitrile;5-(methylaminomethyl)thiophene-2-carbonitrile.
What is the SMILES notation for 5-(aminomethyl)thiophene-2-carbonitrile;5-(methylaminomethyl)thiophene-2-carbonitrile?
The canonical SMILES for 5-(aminomethyl)thiophene-2-carbonitrile;5-(methylaminomethyl)thiophene-2-carbonitrile is CNCc1ccc(C#N)s1.N#Cc1ccc(CN)s1.
What is the InChIKey of 5-(aminomethyl)thiophene-2-carbonitrile;5-(methylaminomethyl)thiophene-2-carbonitrile?
The InChIKey is LVJVYRZGVASGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2S.C6H6N2S/c1-9-5-7-3-2-6(4-8)10-7;7-3-5-1-2-6(4-8)9-5/h2-3,9H,5H2,1H3;1-2H,3,7H2.
What are the key properties of 5-(aminomethyl)thiophene-2-carbonitrile;5-(methylaminomethyl)thiophene-2-carbonitrile?
5-(aminomethyl)thiophene-2-carbonitrile;5-(methylaminomethyl)thiophene-2-carbonitrile has a molecular weight of 290.42 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)thiophene-2-carbonitrile;5-(methylaminomethyl)thiophene-2-carbonitrile is sourced from PubChem (CID 159467647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).