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

C14H13NS — CID 141198701

IUPAC2-(2-phenylethyl)-4H-thieno[3,2-b]pyrrole
SMILESc1ccc(CCc2cc3[nH]ccc3s2)cc1
InChIInChI=1S/C14H13NS/c1-2-4-11(5-3-1)6-7-12-10-13-14(16-12)8-9-15-13/h1-5,8-10,15H,6-7H2
InChIKeyGBMYXBACWQPGBR-UHFFFAOYSA-N
MW227.33 g/mol
LogP4.01
Rot. Bonds3

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

2-(2-phenylethyl)-4H-thieno[3,2-b]pyrrole (PubChem CID 141198701) has the molecular formula C14H13NS and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-(2-phenylethyl)-4H-thieno[3,2-b]pyrrole.

Molecular Properties

Compound Name2-(2-phenylethyl)-4H-thieno[3,2-b]pyrrole
PubChem CID141198701
Molecular FormulaC14H13NS
Molecular Weight227.33 g/mol
Exact Mass227.08
IUPAC Name2-(2-phenylethyl)-4H-thieno[3,2-b]pyrrole
SMILESc1ccc(CCc2cc3[nH]ccc3s2)cc1
InChIInChI=1S/C14H13NS/c1-2-4-11(5-3-1)6-7-12-10-13-14(16-12)8-9-15-13/h1-5,8-10,15H,6-7H2
InChIKeyGBMYXBACWQPGBR-UHFFFAOYSA-N
XLogP4.01
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethyl)-4H-thieno[3,2-b]pyrrole?
The IUPAC name of 2-(2-phenylethyl)-4H-thieno[3,2-b]pyrrole (CID 141198701) is 2-(2-phenylethyl)-4H-thieno[3,2-b]pyrrole.
What is the SMILES notation for 2-(2-phenylethyl)-4H-thieno[3,2-b]pyrrole?
The canonical SMILES for 2-(2-phenylethyl)-4H-thieno[3,2-b]pyrrole is c1ccc(CCc2cc3[nH]ccc3s2)cc1.
What is the InChIKey of 2-(2-phenylethyl)-4H-thieno[3,2-b]pyrrole?
The InChIKey is GBMYXBACWQPGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NS/c1-2-4-11(5-3-1)6-7-12-10-13-14(16-12)8-9-15-13/h1-5,8-10,15H,6-7H2.
What are the key properties of 2-(2-phenylethyl)-4H-thieno[3,2-b]pyrrole?
2-(2-phenylethyl)-4H-thieno[3,2-b]pyrrole has a molecular weight of 227.33 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethyl)-4H-thieno[3,2-b]pyrrole is sourced from PubChem (CID 141198701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).