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

C8H7NO2S — CID 3228395

IUPAC4-methylthieno[3,2-b]pyrrole-5-carboxylic acid
SMILESCn1c(C(=O)O)cc2sccc21
InChIInChI=1S/C8H7NO2S/c1-9-5-2-3-12-7(5)4-6(9)8(10)11/h2-4H,1H3,(H,10,11)
InChIKeyTZHAUWSWUZWKLK-UHFFFAOYSA-N
MW181.22 g/mol
LogP1.94
Rot. Bonds1

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

4-methylthieno[3,2-b]pyrrole-5-carboxylic acid (PubChem CID 3228395) has the molecular formula C8H7NO2S and a molecular weight of 181.22 g/mol. Its IUPAC name is 4-methylthieno[3,2-b]pyrrole-5-carboxylic acid.

Molecular Properties

Compound Name4-methylthieno[3,2-b]pyrrole-5-carboxylic acid
PubChem CID3228395
Molecular FormulaC8H7NO2S
Molecular Weight181.22 g/mol
Exact Mass181.02
IUPAC Name4-methylthieno[3,2-b]pyrrole-5-carboxylic acid
SMILESCn1c(C(=O)O)cc2sccc21
InChIInChI=1S/C8H7NO2S/c1-9-5-2-3-12-7(5)4-6(9)8(10)11/h2-4H,1H3,(H,10,11)
InChIKeyTZHAUWSWUZWKLK-UHFFFAOYSA-N
XLogP1.94
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methylthieno[3,2-b]pyrrole-5-carboxylic acid?
The IUPAC name of 4-methylthieno[3,2-b]pyrrole-5-carboxylic acid (CID 3228395) is 4-methylthieno[3,2-b]pyrrole-5-carboxylic acid.
What is the SMILES notation for 4-methylthieno[3,2-b]pyrrole-5-carboxylic acid?
The canonical SMILES for 4-methylthieno[3,2-b]pyrrole-5-carboxylic acid is Cn1c(C(=O)O)cc2sccc21.
What is the InChIKey of 4-methylthieno[3,2-b]pyrrole-5-carboxylic acid?
The InChIKey is TZHAUWSWUZWKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2S/c1-9-5-2-3-12-7(5)4-6(9)8(10)11/h2-4H,1H3,(H,10,11).
What are the key properties of 4-methylthieno[3,2-b]pyrrole-5-carboxylic acid?
4-methylthieno[3,2-b]pyrrole-5-carboxylic acid has a molecular weight of 181.22 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylthieno[3,2-b]pyrrole-5-carboxylic acid is sourced from PubChem (CID 3228395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).