5-(1H-indol-3-yl)thiophene-3-carboxylic acid

C13H9NO2S — CID 82478024

IUPAC5-(1H-indol-3-yl)thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(-c2c[nH]c3ccccc23)c1
InChIInChI=1S/C13H9NO2S/c15-13(16)8-5-12(17-7-8)10-6-14-11-4-2-1-3-9(10)11/h1-7,14H,(H,15,16)
InChIKeyXMDWZLZNIDLODZ-UHFFFAOYSA-N
MW243.29 g/mol
LogP3.59
Rot. Bonds2

About 5-(1H-indol-3-yl)thiophene-3-carboxylic acid

5-(1H-indol-3-yl)thiophene-3-carboxylic acid (PubChem CID 82478024) has the molecular formula C13H9NO2S and a molecular weight of 243.29 g/mol. Its IUPAC name is 5-(1H-indol-3-yl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-(1H-indol-3-yl)thiophene-3-carboxylic acid
PubChem CID82478024
Molecular FormulaC13H9NO2S
Molecular Weight243.29 g/mol
Exact Mass243.04
IUPAC Name5-(1H-indol-3-yl)thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(-c2c[nH]c3ccccc23)c1
InChIInChI=1S/C13H9NO2S/c15-13(16)8-5-12(17-7-8)10-6-14-11-4-2-1-3-9(10)11/h1-7,14H,(H,15,16)
InChIKeyXMDWZLZNIDLODZ-UHFFFAOYSA-N
XLogP3.59
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1H-indol-3-yl)-4-methoxybenzoic acid
CID 82039782
5-pyridin-2-ylthiophene-3-carboxylic acid
CID 79684127
2-[4-(1H-indol-3-yl)thiophen-2-yl]-3-oxopropanoic acid
CID 175774657
4-(1H-indol-3-yl)thiophen-2-amine
CID 82393986
2-(1H-indol-3-yl)thiochromen-4-one
CID 54116167
4-(1H-indol-3-yl)-1H-imidazole-5-carboxylic acid
CID 82287914
3-(5-hydroxy-1H-indol-3-yl)-1H-indole-6-carboxylic acid
CID 59364245
methane;3-phenyl-1H-indole
CID 167711687
3-[4-(1H-indol-3-yl)phenyl]-1H-indole
CID 175007681
2-amino-4-(1H-indol-3-yl)-5-methylthiophene-3-carboxylic acid
CID 82488540
6-(1H-indol-3-yl)-1,2,4-triazine-3-carboxylic acid
CID 82388103
4-(1H-indol-3-yl)-N-phenylbenzamide
CID 146637660

Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-3-yl)thiophene-3-carboxylic acid?
The IUPAC name of 5-(1H-indol-3-yl)thiophene-3-carboxylic acid (CID 82478024) is 5-(1H-indol-3-yl)thiophene-3-carboxylic acid.
What is the SMILES notation for 5-(1H-indol-3-yl)thiophene-3-carboxylic acid?
The canonical SMILES for 5-(1H-indol-3-yl)thiophene-3-carboxylic acid is O=C(O)c1csc(-c2c[nH]c3ccccc23)c1.
What is the InChIKey of 5-(1H-indol-3-yl)thiophene-3-carboxylic acid?
The InChIKey is XMDWZLZNIDLODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO2S/c15-13(16)8-5-12(17-7-8)10-6-14-11-4-2-1-3-9(10)11/h1-7,14H,(H,15,16).
What are the key properties of 5-(1H-indol-3-yl)thiophene-3-carboxylic acid?
5-(1H-indol-3-yl)thiophene-3-carboxylic acid has a molecular weight of 243.29 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-3-yl)thiophene-3-carboxylic acid is sourced from PubChem (CID 82478024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).