2-[2-(furan-2-yl)-4-(1H-pyrrol-2-yl)thiophen-3-yl]-1H-pyrrole

C16H12N2OS — CID 141122517

IUPAC2-[2-(furan-2-yl)-4-(1H-pyrrol-2-yl)thiophen-3-yl]-1H-pyrrole
SMILESc1c[nH]c(-c2csc(-c3ccco3)c2-c2ccc[nH]2)c1
InChIInChI=1S/C16H12N2OS/c1-4-12(17-7-1)11-10-20-16(14-6-3-9-19-14)15(11)13-5-2-8-18-13/h1-10,17-18H
InChIKeyZCGYASPZOUEIJJ-UHFFFAOYSA-N
MW280.35 g/mol
LogP5.00
Rot. Bonds3

About 2-[2-(furan-2-yl)-4-(1H-pyrrol-2-yl)thiophen-3-yl]-1H-pyrrole

2-[2-(furan-2-yl)-4-(1H-pyrrol-2-yl)thiophen-3-yl]-1H-pyrrole (PubChem CID 141122517) has the molecular formula C16H12N2OS and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)-4-(1H-pyrrol-2-yl)thiophen-3-yl]-1H-pyrrole.

Molecular Properties

Compound Name2-[2-(furan-2-yl)-4-(1H-pyrrol-2-yl)thiophen-3-yl]-1H-pyrrole
PubChem CID141122517
Molecular FormulaC16H12N2OS
Molecular Weight280.35 g/mol
Exact Mass280.07
IUPAC Name2-[2-(furan-2-yl)-4-(1H-pyrrol-2-yl)thiophen-3-yl]-1H-pyrrole
SMILESc1c[nH]c(-c2csc(-c3ccco3)c2-c2ccc[nH]2)c1
InChIInChI=1S/C16H12N2OS/c1-4-12(17-7-1)11-10-20-16(14-6-3-9-19-14)15(11)13-5-2-8-18-13/h1-10,17-18H
InChIKeyZCGYASPZOUEIJJ-UHFFFAOYSA-N
XLogP5.00
TPSA44.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[furan-2-yl(1H-indol-3-yl)methyl]-1H-indole
CID 11370382
2-(Furan-2-yl)-6-pyridin-4-yl-4-thiophen-2-ylpyridine
CID 44423803
2-(Furan-2-yl)-6-pyridin-4-yl-4-thiophen-3-ylpyridine
CID 44423806
4-(Furan-3-yl)-2-pyridin-4-yl-6-thiophen-2-ylpyridine
CID 44423810
4-(Furan-3-yl)-2-pyridin-4-yl-6-thiophen-3-ylpyridine
CID 44423829
4-(Furan-2-yl)-2-pyridin-4-yl-6-thiophen-3-ylpyridine
CID 44423834
4-(Furan-2-yl)-2-pyridin-3-yl-6-thiophen-2-ylpyridine
CID 44423836
4-Furan-2-yl-2-thiophen-2-yl-pyridine
CID 44276312
Furyl(thienyl)pyrrole
CID 129782024
5-[(E)-1-[5-[2-fluoro-4-[4-(furan-3-yl)-2-methyl-3-[(1E,3E)-2-(1H-pyrrol-3-yl)penta-1,3-dienyl]pyrrol-1-yl]phenyl]-3-pyridinyl]prop-1-enyl]-1,3-thiazole
CID 163991025
3-[furan-2-yl(indol-1-ium-3-ylidene)methyl]-1H-indole
CID 169426402
3-(Furan-3-yl)-2,6-dithiophen-2-ylpyridine
CID 91401146

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)-4-(1H-pyrrol-2-yl)thiophen-3-yl]-1H-pyrrole?
The IUPAC name of 2-[2-(furan-2-yl)-4-(1H-pyrrol-2-yl)thiophen-3-yl]-1H-pyrrole (CID 141122517) is 2-[2-(furan-2-yl)-4-(1H-pyrrol-2-yl)thiophen-3-yl]-1H-pyrrole.
What is the SMILES notation for 2-[2-(furan-2-yl)-4-(1H-pyrrol-2-yl)thiophen-3-yl]-1H-pyrrole?
The canonical SMILES for 2-[2-(furan-2-yl)-4-(1H-pyrrol-2-yl)thiophen-3-yl]-1H-pyrrole is c1c[nH]c(-c2csc(-c3ccco3)c2-c2ccc[nH]2)c1.
What is the InChIKey of 2-[2-(furan-2-yl)-4-(1H-pyrrol-2-yl)thiophen-3-yl]-1H-pyrrole?
The InChIKey is ZCGYASPZOUEIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2OS/c1-4-12(17-7-1)11-10-20-16(14-6-3-9-19-14)15(11)13-5-2-8-18-13/h1-10,17-18H.
What are the key properties of 2-[2-(furan-2-yl)-4-(1H-pyrrol-2-yl)thiophen-3-yl]-1H-pyrrole?
2-[2-(furan-2-yl)-4-(1H-pyrrol-2-yl)thiophen-3-yl]-1H-pyrrole has a molecular weight of 280.35 g/mol, XLogP of 5.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)-4-(1H-pyrrol-2-yl)thiophen-3-yl]-1H-pyrrole is sourced from PubChem (CID 141122517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).