2-amino-4-phenyl-6-thiophen-2-ylbenzonitrile

C17H12N2S — CID 44572417

IUPAC2-amino-4-phenyl-6-thiophen-2-ylbenzonitrile
SMILESN#Cc1c(N)cc(-c2ccccc2)cc1-c1cccs1
InChIInChI=1S/C17H12N2S/c18-11-15-14(17-7-4-8-20-17)9-13(10-16(15)19)12-5-2-1-3-6-12/h1-10H,19H2
InChIKeySHHJZIIWONREIC-UHFFFAOYSA-N
MW276.36 g/mol
LogP4.54
Rot. Bonds2

About 2-amino-4-phenyl-6-thiophen-2-ylbenzonitrile

2-amino-4-phenyl-6-thiophen-2-ylbenzonitrile (PubChem CID 44572417) has the molecular formula C17H12N2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-amino-4-phenyl-6-thiophen-2-ylbenzonitrile.

Molecular Properties

Compound Name2-amino-4-phenyl-6-thiophen-2-ylbenzonitrile
PubChem CID44572417
Molecular FormulaC17H12N2S
Molecular Weight276.36 g/mol
Exact Mass276.07
IUPAC Name2-amino-4-phenyl-6-thiophen-2-ylbenzonitrile
SMILESN#Cc1c(N)cc(-c2ccccc2)cc1-c1cccs1
InChIInChI=1S/C17H12N2S/c18-11-15-14(17-7-4-8-20-17)9-13(10-16(15)19)12-5-2-1-3-6-12/h1-10H,19H2
InChIKeySHHJZIIWONREIC-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-phenyl-6-thiophen-2-ylbenzonitrile?
The IUPAC name of 2-amino-4-phenyl-6-thiophen-2-ylbenzonitrile (CID 44572417) is 2-amino-4-phenyl-6-thiophen-2-ylbenzonitrile.
What is the SMILES notation for 2-amino-4-phenyl-6-thiophen-2-ylbenzonitrile?
The canonical SMILES for 2-amino-4-phenyl-6-thiophen-2-ylbenzonitrile is N#Cc1c(N)cc(-c2ccccc2)cc1-c1cccs1.
What is the InChIKey of 2-amino-4-phenyl-6-thiophen-2-ylbenzonitrile?
The InChIKey is SHHJZIIWONREIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2S/c18-11-15-14(17-7-4-8-20-17)9-13(10-16(15)19)12-5-2-1-3-6-12/h1-10H,19H2.
What are the key properties of 2-amino-4-phenyl-6-thiophen-2-ylbenzonitrile?
2-amino-4-phenyl-6-thiophen-2-ylbenzonitrile 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-amino-4-phenyl-6-thiophen-2-ylbenzonitrile is sourced from PubChem (CID 44572417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).