5-[[(3-methylthiophen-2-yl)methylamino]methyl]furan-2-carbonitrile

C12H12N2OS — CID 115652805

IUPAC5-[[(3-methylthiophen-2-yl)methylamino]methyl]furan-2-carbonitrile
SMILESCc1ccsc1CNCc1ccc(C#N)o1
InChIInChI=1S/C12H12N2OS/c1-9-4-5-16-12(9)8-14-7-11-3-2-10(6-13)15-11/h2-5,14H,7-8H2,1H3
InChIKeyLDUYURXHNWGVBE-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.81
Rot. Bonds4

About 5-[[(3-methylthiophen-2-yl)methylamino]methyl]furan-2-carbonitrile

5-[[(3-methylthiophen-2-yl)methylamino]methyl]furan-2-carbonitrile (PubChem CID 115652805) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is 5-[[(3-methylthiophen-2-yl)methylamino]methyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[[(3-methylthiophen-2-yl)methylamino]methyl]furan-2-carbonitrile
PubChem CID115652805
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name5-[[(3-methylthiophen-2-yl)methylamino]methyl]furan-2-carbonitrile
SMILESCc1ccsc1CNCc1ccc(C#N)o1
InChIInChI=1S/C12H12N2OS/c1-9-4-5-16-12(9)8-14-7-11-3-2-10(6-13)15-11/h2-5,14H,7-8H2,1H3
InChIKeyLDUYURXHNWGVBE-UHFFFAOYSA-N
XLogP2.81
TPSA48.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chlorofuran-2-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
CID 78911556
5-[[(3-methyloxetan-3-yl)methylamino]methyl]furan-2-carbonitrile
CID 115653866
5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]furan-2-carbonitrile
CID 115653351
5-[(2-methoxyethylamino)methyl]furan-2-carbonitrile
CID 115651300
5-[[(4-methoxyphenyl)methylamino]methyl]furan-2-carbonitrile
CID 113242815
5-[[(2,2-dimethylcyclopropyl)methylamino]methyl]furan-2-carbonitrile
CID 103699447
5-[(2,2-dimethylbutylamino)methyl]furan-2-carbonitrile
CID 103460965
1-(2,5-dimethylfuran-3-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
CID 115627578
5-[(3-hydroxypropylamino)methyl]furan-2-carbonitrile
CID 115651259
N-[(3-bromothiophen-2-yl)methyl]-1-(5-methylsulfanylfuran-2-yl)methanamine
CID 126833010
5-[[2-[ethyl(methyl)amino]ethylamino]methyl]furan-2-carbonitrile
CID 115652842
2-[(3-methylthiophen-2-yl)methylamino]acetaldehyde
CID 115223017

Frequently Asked Questions

What is the IUPAC name of 5-[[(3-methylthiophen-2-yl)methylamino]methyl]furan-2-carbonitrile?
The IUPAC name of 5-[[(3-methylthiophen-2-yl)methylamino]methyl]furan-2-carbonitrile (CID 115652805) is 5-[[(3-methylthiophen-2-yl)methylamino]methyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[[(3-methylthiophen-2-yl)methylamino]methyl]furan-2-carbonitrile?
The canonical SMILES for 5-[[(3-methylthiophen-2-yl)methylamino]methyl]furan-2-carbonitrile is Cc1ccsc1CNCc1ccc(C#N)o1.
What is the InChIKey of 5-[[(3-methylthiophen-2-yl)methylamino]methyl]furan-2-carbonitrile?
The InChIKey is LDUYURXHNWGVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-9-4-5-16-12(9)8-14-7-11-3-2-10(6-13)15-11/h2-5,14H,7-8H2,1H3.
What are the key properties of 5-[[(3-methylthiophen-2-yl)methylamino]methyl]furan-2-carbonitrile?
5-[[(3-methylthiophen-2-yl)methylamino]methyl]furan-2-carbonitrile has a molecular weight of 232.31 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-methylthiophen-2-yl)methylamino]methyl]furan-2-carbonitrile is sourced from PubChem (CID 115652805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).