5-methyl-4-(2-phenylethyl)thieno[3,2-b]pyrrole

C15H15NS — CID 123346912

IUPAC5-methyl-4-(2-phenylethyl)thieno[3,2-b]pyrrole
SMILESCc1cc2sccc2n1CCc1ccccc1
InChIInChI=1S/C15H15NS/c1-12-11-15-14(8-10-17-15)16(12)9-7-13-5-3-2-4-6-13/h2-6,8,10-11H,7,9H2,1H3
InChIKeyXNYQKJGTRQPQSA-UHFFFAOYSA-N
MW241.36 g/mol
LogP4.25
Rot. Bonds3

About 5-methyl-4-(2-phenylethyl)thieno[3,2-b]pyrrole

5-methyl-4-(2-phenylethyl)thieno[3,2-b]pyrrole (PubChem CID 123346912) has the molecular formula C15H15NS and a molecular weight of 241.36 g/mol. Its IUPAC name is 5-methyl-4-(2-phenylethyl)thieno[3,2-b]pyrrole.

Molecular Properties

Compound Name5-methyl-4-(2-phenylethyl)thieno[3,2-b]pyrrole
PubChem CID123346912
Molecular FormulaC15H15NS
Molecular Weight241.36 g/mol
Exact Mass241.09
IUPAC Name5-methyl-4-(2-phenylethyl)thieno[3,2-b]pyrrole
SMILESCc1cc2sccc2n1CCc1ccccc1
InChIInChI=1S/C15H15NS/c1-12-11-15-14(8-10-17-15)16(12)9-7-13-5-3-2-4-6-13/h2-6,8,10-11H,7,9H2,1H3
InChIKeyXNYQKJGTRQPQSA-UHFFFAOYSA-N
XLogP4.25
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dimethyl-1-(2-phenylethyl)pyridine-4-thione
CID 710608
4-[2-(2-methylindol-1-yl)ethyl]aniline
CID 43519624
2-methyl-1,5-bis(2-phenylethyl)pyrrole
CID 102088618
1-[2-(4-methoxyphenyl)ethyl]-2-methylindole
CID 65444625
2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]acetonitrile
CID 12951925
4-benzyl-N-(4-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 3225099
4-ethyl-5-propan-2-ylthieno[3,2-b]pyrrole
CID 155280673
4-benzyl-N-propylthieno[3,2-b]pyrrole-5-carboxamide
CID 3225185
N-benzyl-4-[(2-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46039049
4-[(4-fluorophenyl)methyl]-N-(4-phenylbutan-2-yl)thieno[3,2-b]pyrrole-5-carboxamide
CID 20877121
N-[2-(2-methylindol-1-yl)ethyl]-2-thiophen-2-ylethanamine
CID 62563025
4-benzyl-N-[(1S)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 51889638

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(2-phenylethyl)thieno[3,2-b]pyrrole?
The IUPAC name of 5-methyl-4-(2-phenylethyl)thieno[3,2-b]pyrrole (CID 123346912) is 5-methyl-4-(2-phenylethyl)thieno[3,2-b]pyrrole.
What is the SMILES notation for 5-methyl-4-(2-phenylethyl)thieno[3,2-b]pyrrole?
The canonical SMILES for 5-methyl-4-(2-phenylethyl)thieno[3,2-b]pyrrole is Cc1cc2sccc2n1CCc1ccccc1.
What is the InChIKey of 5-methyl-4-(2-phenylethyl)thieno[3,2-b]pyrrole?
The InChIKey is XNYQKJGTRQPQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NS/c1-12-11-15-14(8-10-17-15)16(12)9-7-13-5-3-2-4-6-13/h2-6,8,10-11H,7,9H2,1H3.
What are the key properties of 5-methyl-4-(2-phenylethyl)thieno[3,2-b]pyrrole?
5-methyl-4-(2-phenylethyl)thieno[3,2-b]pyrrole has a molecular weight of 241.36 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(2-phenylethyl)thieno[3,2-b]pyrrole is sourced from PubChem (CID 123346912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).