1-(2-thiophen-2-ylethyl)indole-5-carboxylic acid

C15H13NO2S — CID 63775889

IUPAC1-(2-thiophen-2-ylethyl)indole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(ccn2CCc2cccs2)c1
InChIInChI=1S/C15H13NO2S/c17-15(18)12-3-4-14-11(10-12)5-7-16(14)8-6-13-2-1-9-19-13/h1-5,7,9-10H,6,8H2,(H,17,18)
InChIKeyYFDUEYWRBDPVQZ-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.64
Rot. Bonds4

About 1-(2-thiophen-2-ylethyl)indole-5-carboxylic acid

1-(2-thiophen-2-ylethyl)indole-5-carboxylic acid (PubChem CID 63775889) has the molecular formula C15H13NO2S and a molecular weight of 271.34 g/mol. Its IUPAC name is 1-(2-thiophen-2-ylethyl)indole-5-carboxylic acid.

Molecular Properties

Compound Name1-(2-thiophen-2-ylethyl)indole-5-carboxylic acid
PubChem CID63775889
Molecular FormulaC15H13NO2S
Molecular Weight271.34 g/mol
Exact Mass271.07
IUPAC Name1-(2-thiophen-2-ylethyl)indole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(ccn2CCc2cccs2)c1
InChIInChI=1S/C15H13NO2S/c17-15(18)12-3-4-14-11(10-12)5-7-16(14)8-6-13-2-1-9-19-13/h1-5,7,9-10H,6,8H2,(H,17,18)
InChIKeyYFDUEYWRBDPVQZ-UHFFFAOYSA-N
XLogP3.64
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-thiophen-2-ylethyl)indol-5-yl]methanol
CID 102912527
2-oxo-1-(2-thiophen-2-ylethyl)pyridine-4-carboxylic acid
CID 82901967
5-nitro-1-(2-thiophen-2-ylethyl)indole
CID 116619096
1-(2-ethylsulfonylethyl)indole-5-carboxylic acid
CID 55230604
CID 175926008
CID 175926008
1-[1-(2-thiophen-2-ylethyl)indol-5-yl]butan-2-amine
CID 102917638
1-[3-(methylamino)-3-oxopropyl]indole-5-carboxylic acid
CID 63749471
2-oxo-1-(2-thiophen-2-ylethyl)-3H-indole-6-carboxylic acid
CID 102710944
N-[2-(5-chloroindol-1-yl)ethyl]-2-thiophen-2-ylethanamine
CID 63879905
1-[(4-chlorophenyl)methyl]indole-5-carboxylic acid
CID 63748052
1-(5-cyano-5-methylhexyl)indole-5-carboxylic acid
CID 106713021
2,3-dimethyl-1-(thiophen-2-ylmethyl)indole-5-carboxylic acid
CID 29267362

Frequently Asked Questions

What is the IUPAC name of 1-(2-thiophen-2-ylethyl)indole-5-carboxylic acid?
The IUPAC name of 1-(2-thiophen-2-ylethyl)indole-5-carboxylic acid (CID 63775889) is 1-(2-thiophen-2-ylethyl)indole-5-carboxylic acid.
What is the SMILES notation for 1-(2-thiophen-2-ylethyl)indole-5-carboxylic acid?
The canonical SMILES for 1-(2-thiophen-2-ylethyl)indole-5-carboxylic acid is O=C(O)c1ccc2c(ccn2CCc2cccs2)c1.
What is the InChIKey of 1-(2-thiophen-2-ylethyl)indole-5-carboxylic acid?
The InChIKey is YFDUEYWRBDPVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S/c17-15(18)12-3-4-14-11(10-12)5-7-16(14)8-6-13-2-1-9-19-13/h1-5,7,9-10H,6,8H2,(H,17,18).
What are the key properties of 1-(2-thiophen-2-ylethyl)indole-5-carboxylic acid?
1-(2-thiophen-2-ylethyl)indole-5-carboxylic acid has a molecular weight of 271.34 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-thiophen-2-ylethyl)indole-5-carboxylic acid is sourced from PubChem (CID 63775889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).