2-methyl-1,3-diphenyl-4-thiophen-2-ylpyrrole

C21H17NS — CID 138978107

IUPAC2-methyl-1,3-diphenyl-4-thiophen-2-ylpyrrole
SMILESCc1c(-c2ccccc2)c(-c2cccs2)cn1-c1ccccc1
InChIInChI=1S/C21H17NS/c1-16-21(17-9-4-2-5-10-17)19(20-13-8-14-23-20)15-22(16)18-11-6-3-7-12-18/h2-15H,1H3
InChIKeyZPLWNRDRNHYLEZ-UHFFFAOYSA-N
MW315.44 g/mol
LogP6.18
Rot. Bonds3

About 2-methyl-1,3-diphenyl-4-thiophen-2-ylpyrrole

2-methyl-1,3-diphenyl-4-thiophen-2-ylpyrrole (PubChem CID 138978107) has the molecular formula C21H17NS and a molecular weight of 315.44 g/mol. Its IUPAC name is 2-methyl-1,3-diphenyl-4-thiophen-2-ylpyrrole.

Molecular Properties

Compound Name2-methyl-1,3-diphenyl-4-thiophen-2-ylpyrrole
PubChem CID138978107
Molecular FormulaC21H17NS
Molecular Weight315.44 g/mol
Exact Mass315.11
IUPAC Name2-methyl-1,3-diphenyl-4-thiophen-2-ylpyrrole
SMILESCc1c(-c2ccccc2)c(-c2cccs2)cn1-c1ccccc1
InChIInChI=1S/C21H17NS/c1-16-21(17-9-4-2-5-10-17)19(20-13-8-14-23-20)15-22(16)18-11-6-3-7-12-18/h2-15H,1H3
InChIKeyZPLWNRDRNHYLEZ-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

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Related Compounds

Fatostatin
CID 1889993
3-(3-Thienyl)quinoline
CID 10242258
dimethyl(2-{3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indol-1-yl}ethyl)amine
CID 5329362
1-[2-(piperidin-1-yl)ethyl]-3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329363
1-[3-(piperidin-1-yl)propyl]-3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329365
1-[3-(4-methylpiperazin-1-yl)propyl]-3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329366
dimethyl(3-{3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indol-1-yl}propyl)amine
CID 5329367
3-(5-Thien-3-ylpyridin-3-yl)-1Hindole 3h
CID 5329368
7-Fluoro-3-thiophen-3-yl-quinoline
CID 10398928
5-Fluoro-3-thiophen-3-yl-quinoline
CID 10421346
3-(3-Methylthiophen-2-yl)pyridine
CID 23646069
4-(4-(Thiophen-2-yl)benzyl)pyridine
CID 46901783

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-diphenyl-4-thiophen-2-ylpyrrole?
The IUPAC name of 2-methyl-1,3-diphenyl-4-thiophen-2-ylpyrrole (CID 138978107) is 2-methyl-1,3-diphenyl-4-thiophen-2-ylpyrrole.
What is the SMILES notation for 2-methyl-1,3-diphenyl-4-thiophen-2-ylpyrrole?
The canonical SMILES for 2-methyl-1,3-diphenyl-4-thiophen-2-ylpyrrole is Cc1c(-c2ccccc2)c(-c2cccs2)cn1-c1ccccc1.
What is the InChIKey of 2-methyl-1,3-diphenyl-4-thiophen-2-ylpyrrole?
The InChIKey is ZPLWNRDRNHYLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NS/c1-16-21(17-9-4-2-5-10-17)19(20-13-8-14-23-20)15-22(16)18-11-6-3-7-12-18/h2-15H,1H3.
What are the key properties of 2-methyl-1,3-diphenyl-4-thiophen-2-ylpyrrole?
2-methyl-1,3-diphenyl-4-thiophen-2-ylpyrrole 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-methyl-1,3-diphenyl-4-thiophen-2-ylpyrrole is sourced from PubChem (CID 138978107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).