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

C16H11NOS2 — CID 174836952

IUPAC4-(furan-3-yl)-3-thiophen-2-yl-2-thiophen-3-yl-1H-pyrrole
SMILESc1csc(-c2c(-c3ccoc3)c[nH]c2-c2ccsc2)c1
InChIInChI=1S/C16H11NOS2/c1-2-14(20-6-1)15-13(11-3-5-18-9-11)8-17-16(15)12-4-7-19-10-12/h1-10,17H
InChIKeyYKVFVVZZTRPXBX-UHFFFAOYSA-N
MW297.40 g/mol
LogP5.73
Rot. Bonds3

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

4-(furan-3-yl)-3-thiophen-2-yl-2-thiophen-3-yl-1H-pyrrole (PubChem CID 174836952) has the molecular formula C16H11NOS2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-(furan-3-yl)-3-thiophen-2-yl-2-thiophen-3-yl-1H-pyrrole.

Molecular Properties

Compound Name4-(furan-3-yl)-3-thiophen-2-yl-2-thiophen-3-yl-1H-pyrrole
PubChem CID174836952
Molecular FormulaC16H11NOS2
Molecular Weight297.40 g/mol
Exact Mass297.03
IUPAC Name4-(furan-3-yl)-3-thiophen-2-yl-2-thiophen-3-yl-1H-pyrrole
SMILESc1csc(-c2c(-c3ccoc3)c[nH]c2-c2ccsc2)c1
InChIInChI=1S/C16H11NOS2/c1-2-14(20-6-1)15-13(11-3-5-18-9-11)8-17-16(15)12-4-7-19-10-12/h1-10,17H
InChIKeyYKVFVVZZTRPXBX-UHFFFAOYSA-N
XLogP5.73
TPSA28.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.40
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-3-yl)-3-thiophen-2-yl-2-thiophen-3-yl-1H-pyrrole?
The IUPAC name of 4-(furan-3-yl)-3-thiophen-2-yl-2-thiophen-3-yl-1H-pyrrole (CID 174836952) is 4-(furan-3-yl)-3-thiophen-2-yl-2-thiophen-3-yl-1H-pyrrole.
What is the SMILES notation for 4-(furan-3-yl)-3-thiophen-2-yl-2-thiophen-3-yl-1H-pyrrole?
The canonical SMILES for 4-(furan-3-yl)-3-thiophen-2-yl-2-thiophen-3-yl-1H-pyrrole is c1csc(-c2c(-c3ccoc3)c[nH]c2-c2ccsc2)c1.
What is the InChIKey of 4-(furan-3-yl)-3-thiophen-2-yl-2-thiophen-3-yl-1H-pyrrole?
The InChIKey is YKVFVVZZTRPXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NOS2/c1-2-14(20-6-1)15-13(11-3-5-18-9-11)8-17-16(15)12-4-7-19-10-12/h1-10,17H.
What are the key properties of 4-(furan-3-yl)-3-thiophen-2-yl-2-thiophen-3-yl-1H-pyrrole?
4-(furan-3-yl)-3-thiophen-2-yl-2-thiophen-3-yl-1H-pyrrole has a molecular weight of 297.40 g/mol, XLogP of 5.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-3-yl)-3-thiophen-2-yl-2-thiophen-3-yl-1H-pyrrole is sourced from PubChem (CID 174836952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).