2-amino-4,5-diphenylthiophene-3-carbonitrile

C17H12N2S — CID 623938

IUPAC2-amino-4,5-diphenylthiophene-3-carbonitrile
SMILESN#Cc1c(N)sc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C17H12N2S/c18-11-14-15(12-7-3-1-4-8-12)16(20-17(14)19)13-9-5-2-6-10-13/h1-10H,19H2
InChIKeyVYFODMBLWWGUOU-UHFFFAOYSA-N
MW276.36 g/mol
LogP4.54
Rot. Bonds2

About 2-amino-4,5-diphenylthiophene-3-carbonitrile

2-amino-4,5-diphenylthiophene-3-carbonitrile (PubChem CID 623938) has the molecular formula C17H12N2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-amino-4,5-diphenylthiophene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4,5-diphenylthiophene-3-carbonitrile
PubChem CID623938
Molecular FormulaC17H12N2S
Molecular Weight276.36 g/mol
Exact Mass276.07
IUPAC Name2-amino-4,5-diphenylthiophene-3-carbonitrile
SMILESN#Cc1c(N)sc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C17H12N2S/c18-11-14-15(12-7-3-1-4-8-12)16(20-17(14)19)13-9-5-2-6-10-13/h1-10H,19H2
InChIKeyVYFODMBLWWGUOU-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-amino-4,5-diphenylthiophene-3-carbonitrile?
The IUPAC name of 2-amino-4,5-diphenylthiophene-3-carbonitrile (CID 623938) is 2-amino-4,5-diphenylthiophene-3-carbonitrile.
What is the SMILES notation for 2-amino-4,5-diphenylthiophene-3-carbonitrile?
The canonical SMILES for 2-amino-4,5-diphenylthiophene-3-carbonitrile is N#Cc1c(N)sc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 2-amino-4,5-diphenylthiophene-3-carbonitrile?
The InChIKey is VYFODMBLWWGUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2S/c18-11-14-15(12-7-3-1-4-8-12)16(20-17(14)19)13-9-5-2-6-10-13/h1-10H,19H2.
What are the key properties of 2-amino-4,5-diphenylthiophene-3-carbonitrile?
2-amino-4,5-diphenylthiophene-3-carbonitrile 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-4,5-diphenylthiophene-3-carbonitrile is sourced from PubChem (CID 623938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).