5-(furan-2-yl)thiophene-2-carbonitrile

C9H5NOS — CID 57377058

IUPAC5-(furan-2-yl)thiophene-2-carbonitrile
SMILESN#Cc1ccc(-c2ccco2)s1
InChIInChI=1S/C9H5NOS/c10-6-7-3-4-9(12-7)8-2-1-5-11-8/h1-5H
InChIKeyNUSRIPBUBVAJPM-UHFFFAOYSA-N
MW175.21 g/mol
LogP2.88
Rot. Bonds1

About 5-(furan-2-yl)thiophene-2-carbonitrile

5-(furan-2-yl)thiophene-2-carbonitrile (PubChem CID 57377058) has the molecular formula C9H5NOS and a molecular weight of 175.21 g/mol. Its IUPAC name is 5-(furan-2-yl)thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-(furan-2-yl)thiophene-2-carbonitrile
PubChem CID57377058
Molecular FormulaC9H5NOS
Molecular Weight175.21 g/mol
Exact Mass175.01
IUPAC Name5-(furan-2-yl)thiophene-2-carbonitrile
SMILESN#Cc1ccc(-c2ccco2)s1
InChIInChI=1S/C9H5NOS/c10-6-7-3-4-9(12-7)8-2-1-5-11-8/h1-5H
InChIKeyNUSRIPBUBVAJPM-UHFFFAOYSA-N
XLogP2.88
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)thiophene-2-carbonitrile?
The IUPAC name of 5-(furan-2-yl)thiophene-2-carbonitrile (CID 57377058) is 5-(furan-2-yl)thiophene-2-carbonitrile.
What is the SMILES notation for 5-(furan-2-yl)thiophene-2-carbonitrile?
The canonical SMILES for 5-(furan-2-yl)thiophene-2-carbonitrile is N#Cc1ccc(-c2ccco2)s1.
What is the InChIKey of 5-(furan-2-yl)thiophene-2-carbonitrile?
The InChIKey is NUSRIPBUBVAJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5NOS/c10-6-7-3-4-9(12-7)8-2-1-5-11-8/h1-5H.
What are the key properties of 5-(furan-2-yl)thiophene-2-carbonitrile?
5-(furan-2-yl)thiophene-2-carbonitrile has a molecular weight of 175.21 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)thiophene-2-carbonitrile is sourced from PubChem (CID 57377058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).