5-pyrrol-1-yl-2,4-dithiophen-2-ylfuran-3-carbonitrile

C17H10N2OS2 — CID 2805317

IUPAC5-pyrrol-1-yl-2,4-dithiophen-2-ylfuran-3-carbonitrile
SMILESN#Cc1c(-c2cccs2)oc(-n2cccc2)c1-c1cccs1
InChIInChI=1S/C17H10N2OS2/c18-11-12-15(13-5-3-9-21-13)17(19-7-1-2-8-19)20-16(12)14-6-4-10-22-14/h1-10H
InChIKeyZTASAJFNUINKNP-UHFFFAOYSA-N
MW322.41 g/mol
LogP5.40
Rot. Bonds3

About 5-pyrrol-1-yl-2,4-dithiophen-2-ylfuran-3-carbonitrile

5-pyrrol-1-yl-2,4-dithiophen-2-ylfuran-3-carbonitrile (PubChem CID 2805317) has the molecular formula C17H10N2OS2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 5-pyrrol-1-yl-2,4-dithiophen-2-ylfuran-3-carbonitrile.

Molecular Properties

Compound Name5-pyrrol-1-yl-2,4-dithiophen-2-ylfuran-3-carbonitrile
PubChem CID2805317
Molecular FormulaC17H10N2OS2
Molecular Weight322.41 g/mol
Exact Mass322.02
IUPAC Name5-pyrrol-1-yl-2,4-dithiophen-2-ylfuran-3-carbonitrile
SMILESN#Cc1c(-c2cccs2)oc(-n2cccc2)c1-c1cccs1
InChIInChI=1S/C17H10N2OS2/c18-11-12-15(13-5-3-9-21-13)17(19-7-1-2-8-19)20-16(12)14-6-4-10-22-14/h1-10H
InChIKeyZTASAJFNUINKNP-UHFFFAOYSA-N
XLogP5.40
TPSA41.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.41
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-pyrrol-1-yl-2,4-dithiophen-2-ylfuran-3-carbonitrile?
The IUPAC name of 5-pyrrol-1-yl-2,4-dithiophen-2-ylfuran-3-carbonitrile (CID 2805317) is 5-pyrrol-1-yl-2,4-dithiophen-2-ylfuran-3-carbonitrile.
What is the SMILES notation for 5-pyrrol-1-yl-2,4-dithiophen-2-ylfuran-3-carbonitrile?
The canonical SMILES for 5-pyrrol-1-yl-2,4-dithiophen-2-ylfuran-3-carbonitrile is N#Cc1c(-c2cccs2)oc(-n2cccc2)c1-c1cccs1.
What is the InChIKey of 5-pyrrol-1-yl-2,4-dithiophen-2-ylfuran-3-carbonitrile?
The InChIKey is ZTASAJFNUINKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N2OS2/c18-11-12-15(13-5-3-9-21-13)17(19-7-1-2-8-19)20-16(12)14-6-4-10-22-14/h1-10H.
What are the key properties of 5-pyrrol-1-yl-2,4-dithiophen-2-ylfuran-3-carbonitrile?
5-pyrrol-1-yl-2,4-dithiophen-2-ylfuran-3-carbonitrile has a molecular weight of 322.41 g/mol, XLogP of 5.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrol-1-yl-2,4-dithiophen-2-ylfuran-3-carbonitrile is sourced from PubChem (CID 2805317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).