6H-thieno[2,3-b]pyrrole-2-carboxylic acid

C7H5NO2S — CID 82413861

IUPAC6H-thieno[2,3-b]pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc2cc[nH]c2s1
InChIInChI=1S/C7H5NO2S/c9-7(10)5-3-4-1-2-8-6(4)11-5/h1-3,8H,(H,9,10)
InChIKeyFMGAEXNBGVMCOD-UHFFFAOYSA-N
MW167.19 g/mol
LogP1.93
Rot. Bonds1

About 6H-thieno[2,3-b]pyrrole-2-carboxylic acid

6H-thieno[2,3-b]pyrrole-2-carboxylic acid (PubChem CID 82413861) has the molecular formula C7H5NO2S and a molecular weight of 167.19 g/mol. Its IUPAC name is 6H-thieno[2,3-b]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name6H-thieno[2,3-b]pyrrole-2-carboxylic acid
PubChem CID82413861
Molecular FormulaC7H5NO2S
Molecular Weight167.19 g/mol
Exact Mass167.00
IUPAC Name6H-thieno[2,3-b]pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc2cc[nH]c2s1
InChIInChI=1S/C7H5NO2S/c9-7(10)5-3-4-1-2-8-6(4)11-5/h1-3,8H,(H,9,10)
InChIKeyFMGAEXNBGVMCOD-UHFFFAOYSA-N
XLogP1.93
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.19
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6H-thieno[2,3-b]pyrrole-2-carboxylic acid?
The IUPAC name of 6H-thieno[2,3-b]pyrrole-2-carboxylic acid (CID 82413861) is 6H-thieno[2,3-b]pyrrole-2-carboxylic acid.
What is the SMILES notation for 6H-thieno[2,3-b]pyrrole-2-carboxylic acid?
The canonical SMILES for 6H-thieno[2,3-b]pyrrole-2-carboxylic acid is O=C(O)c1cc2cc[nH]c2s1.
What is the InChIKey of 6H-thieno[2,3-b]pyrrole-2-carboxylic acid?
The InChIKey is FMGAEXNBGVMCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO2S/c9-7(10)5-3-4-1-2-8-6(4)11-5/h1-3,8H,(H,9,10).
What are the key properties of 6H-thieno[2,3-b]pyrrole-2-carboxylic acid?
6H-thieno[2,3-b]pyrrole-2-carboxylic acid has a molecular weight of 167.19 g/mol, XLogP of 1.93, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6H-thieno[2,3-b]pyrrole-2-carboxylic acid is sourced from PubChem (CID 82413861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).