5-[5-(5-cyanothiophen-2-yl)thiophen-2-yl]thiophene-2-carbonitrile

C14H6N2S3 — CID 11500375

IUPAC5-[5-(5-cyanothiophen-2-yl)thiophen-2-yl]thiophene-2-carbonitrile
SMILESN#Cc1ccc(-c2ccc(-c3ccc(C#N)s3)s2)s1
InChIInChI=1S/C14H6N2S3/c15-7-9-1-3-11(17-9)13-5-6-14(19-13)12-4-2-10(8-16)18-12/h1-6H
InChIKeyZUECXOWARJNKRK-UHFFFAOYSA-N
MW298.42 g/mol
LogP4.95
Rot. Bonds2

About 5-[5-(5-cyanothiophen-2-yl)thiophen-2-yl]thiophene-2-carbonitrile

5-[5-(5-cyanothiophen-2-yl)thiophen-2-yl]thiophene-2-carbonitrile (PubChem CID 11500375) has the molecular formula C14H6N2S3 and a molecular weight of 298.42 g/mol. Its IUPAC name is 5-[5-(5-cyanothiophen-2-yl)thiophen-2-yl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[5-(5-cyanothiophen-2-yl)thiophen-2-yl]thiophene-2-carbonitrile
PubChem CID11500375
Molecular FormulaC14H6N2S3
Molecular Weight298.42 g/mol
Exact Mass297.97
IUPAC Name5-[5-(5-cyanothiophen-2-yl)thiophen-2-yl]thiophene-2-carbonitrile
SMILESN#Cc1ccc(-c2ccc(-c3ccc(C#N)s3)s2)s1
InChIInChI=1S/C14H6N2S3/c15-7-9-1-3-11(17-9)13-5-6-14(19-13)12-4-2-10(8-16)18-12/h1-6H
InChIKeyZUECXOWARJNKRK-UHFFFAOYSA-N
XLogP4.95
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(5-cyanothiophen-2-yl)thiophen-2-yl]thiophene-2-carbonitrile?
The IUPAC name of 5-[5-(5-cyanothiophen-2-yl)thiophen-2-yl]thiophene-2-carbonitrile (CID 11500375) is 5-[5-(5-cyanothiophen-2-yl)thiophen-2-yl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[5-(5-cyanothiophen-2-yl)thiophen-2-yl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[5-(5-cyanothiophen-2-yl)thiophen-2-yl]thiophene-2-carbonitrile is N#Cc1ccc(-c2ccc(-c3ccc(C#N)s3)s2)s1.
What is the InChIKey of 5-[5-(5-cyanothiophen-2-yl)thiophen-2-yl]thiophene-2-carbonitrile?
The InChIKey is ZUECXOWARJNKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6N2S3/c15-7-9-1-3-11(17-9)13-5-6-14(19-13)12-4-2-10(8-16)18-12/h1-6H.
What are the key properties of 5-[5-(5-cyanothiophen-2-yl)thiophen-2-yl]thiophene-2-carbonitrile?
5-[5-(5-cyanothiophen-2-yl)thiophen-2-yl]thiophene-2-carbonitrile has a molecular weight of 298.42 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(5-cyanothiophen-2-yl)thiophen-2-yl]thiophene-2-carbonitrile is sourced from PubChem (CID 11500375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).