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

C14H14N2S — CID 4645094

IUPAC1-methyl-2-[5-(1-methylpyrrol-2-yl)thiophen-2-yl]pyrrole
SMILESCn1cccc1-c1ccc(-c2cccn2C)s1
InChIInChI=1S/C14H14N2S/c1-15-9-3-5-11(15)13-7-8-14(17-13)12-6-4-10-16(12)2/h3-10H,1-2H3
InChIKeyPHZQJSDLDKYCNL-UHFFFAOYSA-N
MW242.35 g/mol
LogP3.76
Rot. Bonds2

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

1-methyl-2-[5-(1-methylpyrrol-2-yl)thiophen-2-yl]pyrrole (PubChem CID 4645094) has the molecular formula C14H14N2S and a molecular weight of 242.35 g/mol. Its IUPAC name is 1-methyl-2-[5-(1-methylpyrrol-2-yl)thiophen-2-yl]pyrrole.

Molecular Properties

Compound Name1-methyl-2-[5-(1-methylpyrrol-2-yl)thiophen-2-yl]pyrrole
PubChem CID4645094
Molecular FormulaC14H14N2S
Molecular Weight242.35 g/mol
Exact Mass242.09
IUPAC Name1-methyl-2-[5-(1-methylpyrrol-2-yl)thiophen-2-yl]pyrrole
SMILESCn1cccc1-c1ccc(-c2cccn2C)s1
InChIInChI=1S/C14H14N2S/c1-15-9-3-5-11(15)13-7-8-14(17-13)12-6-4-10-16(12)2/h3-10H,1-2H3
InChIKeyPHZQJSDLDKYCNL-UHFFFAOYSA-N
XLogP3.76
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[5-(1-methylpyrrol-2-yl)thiophen-2-yl]pyrrole?
The IUPAC name of 1-methyl-2-[5-(1-methylpyrrol-2-yl)thiophen-2-yl]pyrrole (CID 4645094) is 1-methyl-2-[5-(1-methylpyrrol-2-yl)thiophen-2-yl]pyrrole.
What is the SMILES notation for 1-methyl-2-[5-(1-methylpyrrol-2-yl)thiophen-2-yl]pyrrole?
The canonical SMILES for 1-methyl-2-[5-(1-methylpyrrol-2-yl)thiophen-2-yl]pyrrole is Cn1cccc1-c1ccc(-c2cccn2C)s1.
What is the InChIKey of 1-methyl-2-[5-(1-methylpyrrol-2-yl)thiophen-2-yl]pyrrole?
The InChIKey is PHZQJSDLDKYCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2S/c1-15-9-3-5-11(15)13-7-8-14(17-13)12-6-4-10-16(12)2/h3-10H,1-2H3.
What are the key properties of 1-methyl-2-[5-(1-methylpyrrol-2-yl)thiophen-2-yl]pyrrole?
1-methyl-2-[5-(1-methylpyrrol-2-yl)thiophen-2-yl]pyrrole has a molecular weight of 242.35 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[5-(1-methylpyrrol-2-yl)thiophen-2-yl]pyrrole is sourced from PubChem (CID 4645094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).