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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6,16-bis(2-phenylethyl)-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene
CID 167298952
benzene;2-phenylethylbenzene
CID 18982764
5-(2-phenylethoxy)-1H-pyrrolo[2,3-c]pyridine
CID 174248921
7-(2-phenylethyl)-1H-quinolin-4-one
CID 19075085
N-methyl-N-(4H-thieno[3,2-b]pyrrol-2-ylmethyl)cyclohexanamine
CID 90046215
hafnium;2-phenylethylbenzene
CID 173109801
alumane;2-phenylethylbenzene;hydrobromide
CID 173446278
ethane;methane;2-phenylethylbenzene
CID 158652330
2-(2-phenylethyl)-1H-pyrrole-3-carboxylic acid
CID 84756212
1-benzyl-4-[2-(4-benzylphenyl)ethyl]benzene
CID 23565947
2-[4-[3-(2-phenylethyl)phenyl]butyl]-1H-pyrrole
CID 142106669
2-(1-benzothiophen-2-yl)-4-phenylbutan-2-ol
CID 114910872

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).