3-amino-5-(2,5-dimethylfuran-3-yl)-4-thiophen-2-ylthiophene-2-carbonitrile

C15H12N2OS2 — CID 62501566

IUPAC3-amino-5-(2,5-dimethylfuran-3-yl)-4-thiophen-2-ylthiophene-2-carbonitrile
SMILESCc1cc(-c2sc(C#N)c(N)c2-c2cccs2)c(C)o1
InChIInChI=1S/C15H12N2OS2/c1-8-6-10(9(2)18-8)15-13(11-4-3-5-19-11)14(17)12(7-16)20-15/h3-6H,17H2,1-2H3
InChIKeyRJTPUCAWUNRBTB-UHFFFAOYSA-N
MW300.41 g/mol
LogP4.81
Rot. Bonds2

About 3-amino-5-(2,5-dimethylfuran-3-yl)-4-thiophen-2-ylthiophene-2-carbonitrile

3-amino-5-(2,5-dimethylfuran-3-yl)-4-thiophen-2-ylthiophene-2-carbonitrile (PubChem CID 62501566) has the molecular formula C15H12N2OS2 and a molecular weight of 300.41 g/mol. Its IUPAC name is 3-amino-5-(2,5-dimethylfuran-3-yl)-4-thiophen-2-ylthiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-5-(2,5-dimethylfuran-3-yl)-4-thiophen-2-ylthiophene-2-carbonitrile
PubChem CID62501566
Molecular FormulaC15H12N2OS2
Molecular Weight300.41 g/mol
Exact Mass300.04
IUPAC Name3-amino-5-(2,5-dimethylfuran-3-yl)-4-thiophen-2-ylthiophene-2-carbonitrile
SMILESCc1cc(-c2sc(C#N)c(N)c2-c2cccs2)c(C)o1
InChIInChI=1S/C15H12N2OS2/c1-8-6-10(9(2)18-8)15-13(11-4-3-5-19-11)14(17)12(7-16)20-15/h3-6H,17H2,1-2H3
InChIKeyRJTPUCAWUNRBTB-UHFFFAOYSA-N
XLogP4.81
TPSA62.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2,5-dimethylfuran-3-yl)-4-thiophen-2-ylthiophene-2-carbonitrile?
The IUPAC name of 3-amino-5-(2,5-dimethylfuran-3-yl)-4-thiophen-2-ylthiophene-2-carbonitrile (CID 62501566) is 3-amino-5-(2,5-dimethylfuran-3-yl)-4-thiophen-2-ylthiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-5-(2,5-dimethylfuran-3-yl)-4-thiophen-2-ylthiophene-2-carbonitrile?
The canonical SMILES for 3-amino-5-(2,5-dimethylfuran-3-yl)-4-thiophen-2-ylthiophene-2-carbonitrile is Cc1cc(-c2sc(C#N)c(N)c2-c2cccs2)c(C)o1.
What is the InChIKey of 3-amino-5-(2,5-dimethylfuran-3-yl)-4-thiophen-2-ylthiophene-2-carbonitrile?
The InChIKey is RJTPUCAWUNRBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS2/c1-8-6-10(9(2)18-8)15-13(11-4-3-5-19-11)14(17)12(7-16)20-15/h3-6H,17H2,1-2H3.
What are the key properties of 3-amino-5-(2,5-dimethylfuran-3-yl)-4-thiophen-2-ylthiophene-2-carbonitrile?
3-amino-5-(2,5-dimethylfuran-3-yl)-4-thiophen-2-ylthiophene-2-carbonitrile has a molecular weight of 300.41 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2,5-dimethylfuran-3-yl)-4-thiophen-2-ylthiophene-2-carbonitrile is sourced from PubChem (CID 62501566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).