2-thiophen-2-ylindole-1-carboxylic acid

C13H9NO2S — CID 135007701

IUPAC2-thiophen-2-ylindole-1-carboxylic acid
SMILESO=C(O)n1c(-c2cccs2)cc2ccccc21
InChIInChI=1S/C13H9NO2S/c15-13(16)14-10-5-2-1-4-9(10)8-11(14)12-6-3-7-17-12/h1-8H,(H,15,16)
InChIKeyBSELJOZKWIAVFQ-UHFFFAOYSA-N
MW243.29 g/mol
LogP3.90
Rot. Bonds1

About 2-thiophen-2-ylindole-1-carboxylic acid

2-thiophen-2-ylindole-1-carboxylic acid (PubChem CID 135007701) has the molecular formula C13H9NO2S and a molecular weight of 243.29 g/mol. Its IUPAC name is 2-thiophen-2-ylindole-1-carboxylic acid.

Molecular Properties

Compound Name2-thiophen-2-ylindole-1-carboxylic acid
PubChem CID135007701
Molecular FormulaC13H9NO2S
Molecular Weight243.29 g/mol
Exact Mass243.04
IUPAC Name2-thiophen-2-ylindole-1-carboxylic acid
SMILESO=C(O)n1c(-c2cccs2)cc2ccccc21
InChIInChI=1S/C13H9NO2S/c15-13(16)14-10-5-2-1-4-9(10)8-11(14)12-6-3-7-17-12/h1-8H,(H,15,16)
InChIKeyBSELJOZKWIAVFQ-UHFFFAOYSA-N
XLogP3.90
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminothiophen-2-yl)indole-1-carboxamide
CID 121254619
2-(2H-pyran-4-yl)indole-1-carboxylic acid
CID 118607870
N-(3-methylbutyl)-2-(2-thiophen-2-ylindol-1-yl)acetamide
CID 20907262
1-(4-methylpiperidin-1-yl)-2-(2-thiophen-2-ylindol-1-yl)ethanone
CID 53032510
tert-butyl 2-thiophen-2-ylpyrrolo[2,3-c]pyridine-1-carboxylate
CID 135061190
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide
CID 98429828
N-[(3-bromophenyl)methyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide
CID 20907278
1-(2-hydroxyphenyl)-5-thiophen-2-ylpyrazole-3-carboxylic acid
CID 82362023
2-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)indole-1-carboxylic acid
CID 118111849
2-methyl-1-phenyl-5-thiophen-2-ylpyrazol-2-ium-3-carboxylic acid
CID 166436934
2-(2-oxo-4-thiophen-2-yl-1,3-thiazol-3-yl)acetic acid
CID 16768259
(2-chlorophenyl)-(2-phenylindol-1-yl)methanone
CID 146166145

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylindole-1-carboxylic acid?
The IUPAC name of 2-thiophen-2-ylindole-1-carboxylic acid (CID 135007701) is 2-thiophen-2-ylindole-1-carboxylic acid.
What is the SMILES notation for 2-thiophen-2-ylindole-1-carboxylic acid?
The canonical SMILES for 2-thiophen-2-ylindole-1-carboxylic acid is O=C(O)n1c(-c2cccs2)cc2ccccc21.
What is the InChIKey of 2-thiophen-2-ylindole-1-carboxylic acid?
The InChIKey is BSELJOZKWIAVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO2S/c15-13(16)14-10-5-2-1-4-9(10)8-11(14)12-6-3-7-17-12/h1-8H,(H,15,16).
What are the key properties of 2-thiophen-2-ylindole-1-carboxylic acid?
2-thiophen-2-ylindole-1-carboxylic acid has a molecular weight of 243.29 g/mol, XLogP of 3.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylindole-1-carboxylic acid is sourced from PubChem (CID 135007701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).