4H-thieno[3,2-b]pyrrole-5-carboxylic acid

C7H5NO2S — CID 4961254

IUPAC4H-thieno[3,2-b]pyrrole-5-carboxylic acid
SMILESO=C(O)c1cc2sccc2[nH]1
InChIInChI=1S/C7H5NO2S/c9-7(10)5-3-6-4(8-5)1-2-11-6/h1-3,8H,(H,9,10)
InChIKeyPMHDSACGRKBACK-UHFFFAOYSA-N
MW167.19 g/mol
LogP1.93
Rot. Bonds1

About 4H-thieno[3,2-b]pyrrole-5-carboxylic acid

4H-thieno[3,2-b]pyrrole-5-carboxylic acid (PubChem CID 4961254) has the molecular formula C7H5NO2S and a molecular weight of 167.19 g/mol. Its IUPAC name is 4H-thieno[3,2-b]pyrrole-5-carboxylic acid.

Molecular Properties

Compound Name4H-thieno[3,2-b]pyrrole-5-carboxylic acid
PubChem CID4961254
Molecular FormulaC7H5NO2S
Molecular Weight167.19 g/mol
Exact Mass167.00
IUPAC Name4H-thieno[3,2-b]pyrrole-5-carboxylic acid
SMILESO=C(O)c1cc2sccc2[nH]1
InChIInChI=1S/C7H5NO2S/c9-7(10)5-3-6-4(8-5)1-2-11-6/h1-3,8H,(H,9,10)
InChIKeyPMHDSACGRKBACK-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 4H-thieno[3,2-b]pyrrole-5-carboxylic acid?
The IUPAC name of 4H-thieno[3,2-b]pyrrole-5-carboxylic acid (CID 4961254) is 4H-thieno[3,2-b]pyrrole-5-carboxylic acid.
What is the SMILES notation for 4H-thieno[3,2-b]pyrrole-5-carboxylic acid?
The canonical SMILES for 4H-thieno[3,2-b]pyrrole-5-carboxylic acid is O=C(O)c1cc2sccc2[nH]1.
What is the InChIKey of 4H-thieno[3,2-b]pyrrole-5-carboxylic acid?
The InChIKey is PMHDSACGRKBACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO2S/c9-7(10)5-3-6-4(8-5)1-2-11-6/h1-3,8H,(H,9,10).
What are the key properties of 4H-thieno[3,2-b]pyrrole-5-carboxylic acid?
4H-thieno[3,2-b]pyrrole-5-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 4H-thieno[3,2-b]pyrrole-5-carboxylic acid is sourced from PubChem (CID 4961254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).