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

C16H12N2OS — CID 141083064

IUPAC3-(furan-2-yl)-2-(1H-pyrrol-3-yl)-4-thiophen-2-yl-1H-pyrrole
SMILESc1coc(-c2c(-c3cccs3)c[nH]c2-c2cc[nH]c2)c1
InChIInChI=1S/C16H12N2OS/c1-3-13(19-7-1)15-12(14-4-2-8-20-14)10-18-16(15)11-5-6-17-9-11/h1-10,17-18H
InChIKeyOWDSUKZCZKECDD-UHFFFAOYSA-N
MW280.35 g/mol
LogP5.00
Rot. Bonds3

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

3-(furan-2-yl)-2-(1H-pyrrol-3-yl)-4-thiophen-2-yl-1H-pyrrole (PubChem CID 141083064) has the molecular formula C16H12N2OS and a molecular weight of 280.35 g/mol. Its IUPAC name is 3-(furan-2-yl)-2-(1H-pyrrol-3-yl)-4-thiophen-2-yl-1H-pyrrole.

Molecular Properties

Compound Name3-(furan-2-yl)-2-(1H-pyrrol-3-yl)-4-thiophen-2-yl-1H-pyrrole
PubChem CID141083064
Molecular FormulaC16H12N2OS
Molecular Weight280.35 g/mol
Exact Mass280.07
IUPAC Name3-(furan-2-yl)-2-(1H-pyrrol-3-yl)-4-thiophen-2-yl-1H-pyrrole
SMILESc1coc(-c2c(-c3cccs3)c[nH]c2-c2cc[nH]c2)c1
InChIInChI=1S/C16H12N2OS/c1-3-13(19-7-1)15-12(14-4-2-8-20-14)10-18-16(15)11-5-6-17-9-11/h1-10,17-18H
InChIKeyOWDSUKZCZKECDD-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

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
N-[3-(dimethylamino)propyl]-4-[[4-[[4-(furan-2-yl)thiophene-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxamide
CID 122180980
6-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 172437500
Furyl(thienyl)pyrrole
CID 129782024
[5-[4-(Furan-2-yl)-3-pyridinyl]thiophen-2-yl]methanamine
CID 145946571
2-(Furan-3-yl)-3-thiophen-2-ylpyridine
CID 91520893
Furfuryl Furfurylpyrrol
CID 129627716
2-[2-Benzyl-4-(furan-2-yl)-1-(4-methoxyphenyl)-5-thiophen-2-ylpyrrol-3-yl]pyrazine
CID 162415138

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-2-(1H-pyrrol-3-yl)-4-thiophen-2-yl-1H-pyrrole?
The IUPAC name of 3-(furan-2-yl)-2-(1H-pyrrol-3-yl)-4-thiophen-2-yl-1H-pyrrole (CID 141083064) is 3-(furan-2-yl)-2-(1H-pyrrol-3-yl)-4-thiophen-2-yl-1H-pyrrole.
What is the SMILES notation for 3-(furan-2-yl)-2-(1H-pyrrol-3-yl)-4-thiophen-2-yl-1H-pyrrole?
The canonical SMILES for 3-(furan-2-yl)-2-(1H-pyrrol-3-yl)-4-thiophen-2-yl-1H-pyrrole is c1coc(-c2c(-c3cccs3)c[nH]c2-c2cc[nH]c2)c1.
What is the InChIKey of 3-(furan-2-yl)-2-(1H-pyrrol-3-yl)-4-thiophen-2-yl-1H-pyrrole?
The InChIKey is OWDSUKZCZKECDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2OS/c1-3-13(19-7-1)15-12(14-4-2-8-20-14)10-18-16(15)11-5-6-17-9-11/h1-10,17-18H.
What are the key properties of 3-(furan-2-yl)-2-(1H-pyrrol-3-yl)-4-thiophen-2-yl-1H-pyrrole?
3-(furan-2-yl)-2-(1H-pyrrol-3-yl)-4-thiophen-2-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 3-(furan-2-yl)-2-(1H-pyrrol-3-yl)-4-thiophen-2-yl-1H-pyrrole is sourced from PubChem (CID 141083064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).