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

C9H9NO2S — CID 3238235

IUPAC2,4-dimethylthieno[3,2-b]pyrrole-5-carboxylic acid
SMILESCc1cc2c(cc(C(=O)O)n2C)s1
InChIInChI=1S/C9H9NO2S/c1-5-3-6-8(13-5)4-7(9(11)12)10(6)2/h3-4H,1-2H3,(H,11,12)
InChIKeyTUBIHPRLIKRUPP-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.25
Rot. Bonds1

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

2,4-dimethylthieno[3,2-b]pyrrole-5-carboxylic acid (PubChem CID 3238235) has the molecular formula C9H9NO2S and a molecular weight of 195.24 g/mol. Its IUPAC name is 2,4-dimethylthieno[3,2-b]pyrrole-5-carboxylic acid.

Molecular Properties

Compound Name2,4-dimethylthieno[3,2-b]pyrrole-5-carboxylic acid
PubChem CID3238235
Molecular FormulaC9H9NO2S
Molecular Weight195.24 g/mol
Exact Mass195.04
IUPAC Name2,4-dimethylthieno[3,2-b]pyrrole-5-carboxylic acid
SMILESCc1cc2c(cc(C(=O)O)n2C)s1
InChIInChI=1S/C9H9NO2S/c1-5-3-6-8(13-5)4-7(9(11)12)10(6)2/h3-4H,1-2H3,(H,11,12)
InChIKeyTUBIHPRLIKRUPP-UHFFFAOYSA-N
XLogP2.25
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylthieno[3,2-b]pyrrole-5-carboxylic acid?
The IUPAC name of 2,4-dimethylthieno[3,2-b]pyrrole-5-carboxylic acid (CID 3238235) is 2,4-dimethylthieno[3,2-b]pyrrole-5-carboxylic acid.
What is the SMILES notation for 2,4-dimethylthieno[3,2-b]pyrrole-5-carboxylic acid?
The canonical SMILES for 2,4-dimethylthieno[3,2-b]pyrrole-5-carboxylic acid is Cc1cc2c(cc(C(=O)O)n2C)s1.
What is the InChIKey of 2,4-dimethylthieno[3,2-b]pyrrole-5-carboxylic acid?
The InChIKey is TUBIHPRLIKRUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2S/c1-5-3-6-8(13-5)4-7(9(11)12)10(6)2/h3-4H,1-2H3,(H,11,12).
What are the key properties of 2,4-dimethylthieno[3,2-b]pyrrole-5-carboxylic acid?
2,4-dimethylthieno[3,2-b]pyrrole-5-carboxylic acid has a molecular weight of 195.24 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylthieno[3,2-b]pyrrole-5-carboxylic acid is sourced from PubChem (CID 3238235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).