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

C15H15NS — CID 70796407

IUPAC5-methyl-3-(2-phenylethyl)-4H-thieno[3,2-b]pyrrole
SMILESCc1cc2scc(CCc3ccccc3)c2[nH]1
InChIInChI=1S/C15H15NS/c1-11-9-14-15(16-11)13(10-17-14)8-7-12-5-3-2-4-6-12/h2-6,9-10,16H,7-8H2,1H3
InChIKeyAVXIUTJULQCLDI-UHFFFAOYSA-N
MW241.36 g/mol
LogP4.32
Rot. Bonds3

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

5-methyl-3-(2-phenylethyl)-4H-thieno[3,2-b]pyrrole (PubChem CID 70796407) has the molecular formula C15H15NS and a molecular weight of 241.36 g/mol. Its IUPAC name is 5-methyl-3-(2-phenylethyl)-4H-thieno[3,2-b]pyrrole.

Molecular Properties

Compound Name5-methyl-3-(2-phenylethyl)-4H-thieno[3,2-b]pyrrole
PubChem CID70796407
Molecular FormulaC15H15NS
Molecular Weight241.36 g/mol
Exact Mass241.09
IUPAC Name5-methyl-3-(2-phenylethyl)-4H-thieno[3,2-b]pyrrole
SMILESCc1cc2scc(CCc3ccccc3)c2[nH]1
InChIInChI=1S/C15H15NS/c1-11-9-14-15(16-11)13(10-17-14)8-7-12-5-3-2-4-6-12/h2-6,9-10,16H,7-8H2,1H3
InChIKeyAVXIUTJULQCLDI-UHFFFAOYSA-N
XLogP4.32
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2-phenylethyl)-4H-thieno[3,2-b]pyrrole?
The IUPAC name of 5-methyl-3-(2-phenylethyl)-4H-thieno[3,2-b]pyrrole (CID 70796407) is 5-methyl-3-(2-phenylethyl)-4H-thieno[3,2-b]pyrrole.
What is the SMILES notation for 5-methyl-3-(2-phenylethyl)-4H-thieno[3,2-b]pyrrole?
The canonical SMILES for 5-methyl-3-(2-phenylethyl)-4H-thieno[3,2-b]pyrrole is Cc1cc2scc(CCc3ccccc3)c2[nH]1.
What is the InChIKey of 5-methyl-3-(2-phenylethyl)-4H-thieno[3,2-b]pyrrole?
The InChIKey is AVXIUTJULQCLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NS/c1-11-9-14-15(16-11)13(10-17-14)8-7-12-5-3-2-4-6-12/h2-6,9-10,16H,7-8H2,1H3.
What are the key properties of 5-methyl-3-(2-phenylethyl)-4H-thieno[3,2-b]pyrrole?
5-methyl-3-(2-phenylethyl)-4H-thieno[3,2-b]pyrrole has a molecular weight of 241.36 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2-phenylethyl)-4H-thieno[3,2-b]pyrrole is sourced from PubChem (CID 70796407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).