1-methyl-2-[5-[5-(1-methylpyrrol-2-yl)thiophen-2-yl]thiophen-2-yl]pyrrole

C18H16N2S2 — CID 86175660

IUPAC1-methyl-2-[5-[5-(1-methylpyrrol-2-yl)thiophen-2-yl]thiophen-2-yl]pyrrole
SMILESCn1cccc1-c1ccc(-c2ccc(-c3cccn3C)s2)s1
InChIInChI=1S/C18H16N2S2/c1-19-11-3-5-13(19)15-7-9-17(21-15)18-10-8-16(22-18)14-6-4-12-20(14)2/h3-12H,1-2H3
InChIKeyJFPYGCLCQOMYKQ-UHFFFAOYSA-N
MW324.47 g/mol
LogP5.49
Rot. Bonds3

About 1-methyl-2-[5-[5-(1-methylpyrrol-2-yl)thiophen-2-yl]thiophen-2-yl]pyrrole

1-methyl-2-[5-[5-(1-methylpyrrol-2-yl)thiophen-2-yl]thiophen-2-yl]pyrrole (PubChem CID 86175660) has the molecular formula C18H16N2S2 and a molecular weight of 324.47 g/mol. Its IUPAC name is 1-methyl-2-[5-[5-(1-methylpyrrol-2-yl)thiophen-2-yl]thiophen-2-yl]pyrrole.

Molecular Properties

Compound Name1-methyl-2-[5-[5-(1-methylpyrrol-2-yl)thiophen-2-yl]thiophen-2-yl]pyrrole
PubChem CID86175660
Molecular FormulaC18H16N2S2
Molecular Weight324.47 g/mol
Exact Mass324.08
IUPAC Name1-methyl-2-[5-[5-(1-methylpyrrol-2-yl)thiophen-2-yl]thiophen-2-yl]pyrrole
SMILESCn1cccc1-c1ccc(-c2ccc(-c3cccn3C)s2)s1
InChIInChI=1S/C18H16N2S2/c1-19-11-3-5-13(19)15-7-9-17(21-15)18-10-8-16(22-18)14-6-4-12-20(14)2/h3-12H,1-2H3
InChIKeyJFPYGCLCQOMYKQ-UHFFFAOYSA-N
XLogP5.49
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.47
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[5-[5-(1-methylpyrrol-2-yl)thiophen-2-yl]thiophen-2-yl]pyrrole?
The IUPAC name of 1-methyl-2-[5-[5-(1-methylpyrrol-2-yl)thiophen-2-yl]thiophen-2-yl]pyrrole (CID 86175660) is 1-methyl-2-[5-[5-(1-methylpyrrol-2-yl)thiophen-2-yl]thiophen-2-yl]pyrrole.
What is the SMILES notation for 1-methyl-2-[5-[5-(1-methylpyrrol-2-yl)thiophen-2-yl]thiophen-2-yl]pyrrole?
The canonical SMILES for 1-methyl-2-[5-[5-(1-methylpyrrol-2-yl)thiophen-2-yl]thiophen-2-yl]pyrrole is Cn1cccc1-c1ccc(-c2ccc(-c3cccn3C)s2)s1.
What is the InChIKey of 1-methyl-2-[5-[5-(1-methylpyrrol-2-yl)thiophen-2-yl]thiophen-2-yl]pyrrole?
The InChIKey is JFPYGCLCQOMYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2S2/c1-19-11-3-5-13(19)15-7-9-17(21-15)18-10-8-16(22-18)14-6-4-12-20(14)2/h3-12H,1-2H3.
What are the key properties of 1-methyl-2-[5-[5-(1-methylpyrrol-2-yl)thiophen-2-yl]thiophen-2-yl]pyrrole?
1-methyl-2-[5-[5-(1-methylpyrrol-2-yl)thiophen-2-yl]thiophen-2-yl]pyrrole has a molecular weight of 324.47 g/mol, XLogP of 5.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[5-[5-(1-methylpyrrol-2-yl)thiophen-2-yl]thiophen-2-yl]pyrrole is sourced from PubChem (CID 86175660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).