2-(5-methylthiophen-2-yl)-1,5-diphenylpyrrole

C21H17NS — CID 3021802

IUPAC2-(5-methylthiophen-2-yl)-1,5-diphenylpyrrole
SMILESCc1ccc(-c2ccc(-c3ccccc3)n2-c2ccccc2)s1
InChIInChI=1S/C21H17NS/c1-16-12-15-21(23-16)20-14-13-19(17-8-4-2-5-9-17)22(20)18-10-6-3-7-11-18/h2-15H,1H3
InChIKeyBYHDOXZPCMCKCN-UHFFFAOYSA-N
MW315.44 g/mol
LogP6.18
Rot. Bonds3

About 2-(5-methylthiophen-2-yl)-1,5-diphenylpyrrole

2-(5-methylthiophen-2-yl)-1,5-diphenylpyrrole (PubChem CID 3021802) has the molecular formula C21H17NS and a molecular weight of 315.44 g/mol. Its IUPAC name is 2-(5-methylthiophen-2-yl)-1,5-diphenylpyrrole.

Molecular Properties

Compound Name2-(5-methylthiophen-2-yl)-1,5-diphenylpyrrole
PubChem CID3021802
Molecular FormulaC21H17NS
Molecular Weight315.44 g/mol
Exact Mass315.11
IUPAC Name2-(5-methylthiophen-2-yl)-1,5-diphenylpyrrole
SMILESCc1ccc(-c2ccc(-c3ccccc3)n2-c2ccccc2)s1
InChIInChI=1S/C21H17NS/c1-16-12-15-21(23-16)20-14-13-19(17-8-4-2-5-9-17)22(20)18-10-6-3-7-11-18/h2-15H,1H3
InChIKeyBYHDOXZPCMCKCN-UHFFFAOYSA-N
XLogP6.18
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.44
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(5-methylthiophen-2-yl)-1,5-diphenylpyrrole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylthiophen-2-yl)-1,5-diphenylpyrrole?
The IUPAC name of 2-(5-methylthiophen-2-yl)-1,5-diphenylpyrrole (CID 3021802) is 2-(5-methylthiophen-2-yl)-1,5-diphenylpyrrole.
What is the SMILES notation for 2-(5-methylthiophen-2-yl)-1,5-diphenylpyrrole?
The canonical SMILES for 2-(5-methylthiophen-2-yl)-1,5-diphenylpyrrole is Cc1ccc(-c2ccc(-c3ccccc3)n2-c2ccccc2)s1.
What is the InChIKey of 2-(5-methylthiophen-2-yl)-1,5-diphenylpyrrole?
The InChIKey is BYHDOXZPCMCKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NS/c1-16-12-15-21(23-16)20-14-13-19(17-8-4-2-5-9-17)22(20)18-10-6-3-7-11-18/h2-15H,1H3.
What are the key properties of 2-(5-methylthiophen-2-yl)-1,5-diphenylpyrrole?
2-(5-methylthiophen-2-yl)-1,5-diphenylpyrrole has a molecular weight of 315.44 g/mol, XLogP of 6.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylthiophen-2-yl)-1,5-diphenylpyrrole is sourced from PubChem (CID 3021802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).