2-[4-(3-aminothiophen-2-yl)phenyl]benzonitrile

C17H12N2S — CID 69252430

IUPAC2-[4-(3-aminothiophen-2-yl)phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1ccc(-c2sccc2N)cc1
InChIInChI=1S/C17H12N2S/c18-11-14-3-1-2-4-15(14)12-5-7-13(8-6-12)17-16(19)9-10-20-17/h1-10H,19H2
InChIKeyNRMSULWRBCYUOF-UHFFFAOYSA-N
MW276.36 g/mol
LogP4.54
Rot. Bonds2

About 2-[4-(3-aminothiophen-2-yl)phenyl]benzonitrile

2-[4-(3-aminothiophen-2-yl)phenyl]benzonitrile (PubChem CID 69252430) has the molecular formula C17H12N2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-[4-(3-aminothiophen-2-yl)phenyl]benzonitrile.

Molecular Properties

Compound Name2-[4-(3-aminothiophen-2-yl)phenyl]benzonitrile
PubChem CID69252430
Molecular FormulaC17H12N2S
Molecular Weight276.36 g/mol
Exact Mass276.07
IUPAC Name2-[4-(3-aminothiophen-2-yl)phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1ccc(-c2sccc2N)cc1
InChIInChI=1S/C17H12N2S/c18-11-14-3-1-2-4-15(14)12-5-7-13(8-6-12)17-16(19)9-10-20-17/h1-10H,19H2
InChIKeyNRMSULWRBCYUOF-UHFFFAOYSA-N
XLogP4.54
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-aminothiophen-2-yl)phenyl]benzonitrile?
The IUPAC name of 2-[4-(3-aminothiophen-2-yl)phenyl]benzonitrile (CID 69252430) is 2-[4-(3-aminothiophen-2-yl)phenyl]benzonitrile.
What is the SMILES notation for 2-[4-(3-aminothiophen-2-yl)phenyl]benzonitrile?
The canonical SMILES for 2-[4-(3-aminothiophen-2-yl)phenyl]benzonitrile is N#Cc1ccccc1-c1ccc(-c2sccc2N)cc1.
What is the InChIKey of 2-[4-(3-aminothiophen-2-yl)phenyl]benzonitrile?
The InChIKey is NRMSULWRBCYUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2S/c18-11-14-3-1-2-4-15(14)12-5-7-13(8-6-12)17-16(19)9-10-20-17/h1-10H,19H2.
What are the key properties of 2-[4-(3-aminothiophen-2-yl)phenyl]benzonitrile?
2-[4-(3-aminothiophen-2-yl)phenyl]benzonitrile has a molecular weight of 276.36 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-aminothiophen-2-yl)phenyl]benzonitrile is sourced from PubChem (CID 69252430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).