3-methyl-2,5-dithiophen-2-yl-1H-pyrrole

C13H11NS2 — CID 53445362

IUPAC3-methyl-2,5-dithiophen-2-yl-1H-pyrrole
SMILESCc1cc(-c2cccs2)[nH]c1-c1cccs1
InChIInChI=1S/C13H11NS2/c1-9-8-10(11-4-2-6-15-11)14-13(9)12-5-3-7-16-12/h2-8,14H,1H3
InChIKeyWIFINVVIAGBNRL-UHFFFAOYSA-N
MW245.37 g/mol
LogP4.78
Rot. Bonds2

About 3-methyl-2,5-dithiophen-2-yl-1H-pyrrole

3-methyl-2,5-dithiophen-2-yl-1H-pyrrole (PubChem CID 53445362) has the molecular formula C13H11NS2 and a molecular weight of 245.37 g/mol. Its IUPAC name is 3-methyl-2,5-dithiophen-2-yl-1H-pyrrole.

Molecular Properties

Compound Name3-methyl-2,5-dithiophen-2-yl-1H-pyrrole
PubChem CID53445362
Molecular FormulaC13H11NS2
Molecular Weight245.37 g/mol
Exact Mass245.03
IUPAC Name3-methyl-2,5-dithiophen-2-yl-1H-pyrrole
SMILESCc1cc(-c2cccs2)[nH]c1-c1cccs1
InChIInChI=1S/C13H11NS2/c1-9-8-10(11-4-2-6-15-11)14-13(9)12-5-3-7-16-12/h2-8,14H,1H3
InChIKeyWIFINVVIAGBNRL-UHFFFAOYSA-N
XLogP4.78
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dithiophen-2-yl-1H-pyrrol-3-yl)methanamine
CID 54273607
5-methyl-3-thiophen-2-yl-2H-isoquinolin-1-one
CID 142730761
4-fluoro-7-methyl-2-thiophen-2-yl-1H-indole
CID 131887170
acetonitrile;2-thiophen-2-yl-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione
CID 175553313
4-(3,4-dimethylphenyl)-6-thiophen-2-yl-1H-pyrimidin-2-one
CID 139229492
4-sulfanylidene-6-thiophen-2-yl-1H-pyrimidin-2-one
CID 121206455
4,7-difluoro-2-thiophen-2-yl-1H-indole
CID 131867723
thieno[3,2-b]thiophene;2-thiophen-2-yl-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione
CID 174225728
2-(2,6-dimethylphenyl)thiophene
CID 58838883
2-ethyl-6-thiophen-2-yl-1H-pyrimidine-4-thione
CID 106515564
3-methyl-2-[5-[5-(3-methyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophene
CID 59476051
2-propan-2-yl-5-thiophen-2-yl-1H-pyrrole-3-carboxylic acid
CID 82083381

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,5-dithiophen-2-yl-1H-pyrrole?
The IUPAC name of 3-methyl-2,5-dithiophen-2-yl-1H-pyrrole (CID 53445362) is 3-methyl-2,5-dithiophen-2-yl-1H-pyrrole.
What is the SMILES notation for 3-methyl-2,5-dithiophen-2-yl-1H-pyrrole?
The canonical SMILES for 3-methyl-2,5-dithiophen-2-yl-1H-pyrrole is Cc1cc(-c2cccs2)[nH]c1-c1cccs1.
What is the InChIKey of 3-methyl-2,5-dithiophen-2-yl-1H-pyrrole?
The InChIKey is WIFINVVIAGBNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NS2/c1-9-8-10(11-4-2-6-15-11)14-13(9)12-5-3-7-16-12/h2-8,14H,1H3.
What are the key properties of 3-methyl-2,5-dithiophen-2-yl-1H-pyrrole?
3-methyl-2,5-dithiophen-2-yl-1H-pyrrole has a molecular weight of 245.37 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,5-dithiophen-2-yl-1H-pyrrole is sourced from PubChem (CID 53445362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).