2-[2-(5-methylfuran-3-yl)ethyl]-4-(5-methylthiophen-3-yl)-1H-pyrrole

C16H17NOS — CID 134244088

IUPAC2-[2-(5-methylfuran-3-yl)ethyl]-4-(5-methylthiophen-3-yl)-1H-pyrrole
SMILESCc1cc(CCc2cc(-c3csc(C)c3)c[nH]2)co1
InChIInChI=1S/C16H17NOS/c1-11-5-13(9-18-11)3-4-16-7-14(8-17-16)15-6-12(2)19-10-15/h5-10,17H,3-4H2,1-2H3
InChIKeyKLSOQDDUFIASQT-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.74
Rot. Bonds4

About 2-[2-(5-methylfuran-3-yl)ethyl]-4-(5-methylthiophen-3-yl)-1H-pyrrole

2-[2-(5-methylfuran-3-yl)ethyl]-4-(5-methylthiophen-3-yl)-1H-pyrrole (PubChem CID 134244088) has the molecular formula C16H17NOS and a molecular weight of 271.38 g/mol. Its IUPAC name is 2-[2-(5-methylfuran-3-yl)ethyl]-4-(5-methylthiophen-3-yl)-1H-pyrrole.

Molecular Properties

Compound Name2-[2-(5-methylfuran-3-yl)ethyl]-4-(5-methylthiophen-3-yl)-1H-pyrrole
PubChem CID134244088
Molecular FormulaC16H17NOS
Molecular Weight271.38 g/mol
Exact Mass271.10
IUPAC Name2-[2-(5-methylfuran-3-yl)ethyl]-4-(5-methylthiophen-3-yl)-1H-pyrrole
SMILESCc1cc(CCc2cc(-c3csc(C)c3)c[nH]2)co1
InChIInChI=1S/C16H17NOS/c1-11-5-13(9-18-11)3-4-16-7-14(8-17-16)15-6-12(2)19-10-15/h5-10,17H,3-4H2,1-2H3
InChIKeyKLSOQDDUFIASQT-UHFFFAOYSA-N
XLogP4.74
TPSA28.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Furan-3-yl)-2,6-dithiophen-2-ylpyridine
CID 46224813
[5-[4-(Furan-3-yl)-3-pyridinyl]thiophen-2-yl]methanamine;dihydrochloride
CID 145956935
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-3-yl)-2-(3-methylthiophen-2-yl)-6-thiophen-2-ylpyridine
CID 46224810
4-(Furan-3-yl)-2-(3-methylthiophen-2-yl)-6-thiophen-3-ylpyridine
CID 46224812
4-(Furan-3-yl)-2-thiophen-2-yl-6-thiophen-3-ylpyridine
CID 46224850
4-(Furan-3-yl)-2,6-di(thiophen-3-yl)pyridine
CID 46224852
4-(Furan-3-yl)-2,6-bis(3-methylthiophen-2-yl)pyridine
CID 46224889

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-methylfuran-3-yl)ethyl]-4-(5-methylthiophen-3-yl)-1H-pyrrole?
The IUPAC name of 2-[2-(5-methylfuran-3-yl)ethyl]-4-(5-methylthiophen-3-yl)-1H-pyrrole (CID 134244088) is 2-[2-(5-methylfuran-3-yl)ethyl]-4-(5-methylthiophen-3-yl)-1H-pyrrole.
What is the SMILES notation for 2-[2-(5-methylfuran-3-yl)ethyl]-4-(5-methylthiophen-3-yl)-1H-pyrrole?
The canonical SMILES for 2-[2-(5-methylfuran-3-yl)ethyl]-4-(5-methylthiophen-3-yl)-1H-pyrrole is Cc1cc(CCc2cc(-c3csc(C)c3)c[nH]2)co1.
What is the InChIKey of 2-[2-(5-methylfuran-3-yl)ethyl]-4-(5-methylthiophen-3-yl)-1H-pyrrole?
The InChIKey is KLSOQDDUFIASQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c1-11-5-13(9-18-11)3-4-16-7-14(8-17-16)15-6-12(2)19-10-15/h5-10,17H,3-4H2,1-2H3.
What are the key properties of 2-[2-(5-methylfuran-3-yl)ethyl]-4-(5-methylthiophen-3-yl)-1H-pyrrole?
2-[2-(5-methylfuran-3-yl)ethyl]-4-(5-methylthiophen-3-yl)-1H-pyrrole has a molecular weight of 271.38 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-methylfuran-3-yl)ethyl]-4-(5-methylthiophen-3-yl)-1H-pyrrole is sourced from PubChem (CID 134244088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).