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

C10H11NO2S — CID 3240156

IUPAC2-ethyl-4-methylthieno[3,2-b]pyrrole-5-carboxylic acid
SMILESCCc1cc2c(cc(C(=O)O)n2C)s1
InChIInChI=1S/C10H11NO2S/c1-3-6-4-7-9(14-6)5-8(10(12)13)11(7)2/h4-5H,3H2,1-2H3,(H,12,13)
InChIKeyODOWKMBLADZFJT-UHFFFAOYSA-N
MW209.27 g/mol
LogP2.50
Rot. Bonds2

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

2-ethyl-4-methylthieno[3,2-b]pyrrole-5-carboxylic acid (PubChem CID 3240156) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is 2-ethyl-4-methylthieno[3,2-b]pyrrole-5-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-4-methylthieno[3,2-b]pyrrole-5-carboxylic acid
PubChem CID3240156
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC Name2-ethyl-4-methylthieno[3,2-b]pyrrole-5-carboxylic acid
SMILESCCc1cc2c(cc(C(=O)O)n2C)s1
InChIInChI=1S/C10H11NO2S/c1-3-6-4-7-9(14-6)5-8(10(12)13)11(7)2/h4-5H,3H2,1-2H3,(H,12,13)
InChIKeyODOWKMBLADZFJT-UHFFFAOYSA-N
XLogP2.50
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methylthieno[3,2-b]pyrrole-5-carboxylic acid?
The IUPAC name of 2-ethyl-4-methylthieno[3,2-b]pyrrole-5-carboxylic acid (CID 3240156) is 2-ethyl-4-methylthieno[3,2-b]pyrrole-5-carboxylic acid.
What is the SMILES notation for 2-ethyl-4-methylthieno[3,2-b]pyrrole-5-carboxylic acid?
The canonical SMILES for 2-ethyl-4-methylthieno[3,2-b]pyrrole-5-carboxylic acid is CCc1cc2c(cc(C(=O)O)n2C)s1.
What is the InChIKey of 2-ethyl-4-methylthieno[3,2-b]pyrrole-5-carboxylic acid?
The InChIKey is ODOWKMBLADZFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S/c1-3-6-4-7-9(14-6)5-8(10(12)13)11(7)2/h4-5H,3H2,1-2H3,(H,12,13).
What are the key properties of 2-ethyl-4-methylthieno[3,2-b]pyrrole-5-carboxylic acid?
2-ethyl-4-methylthieno[3,2-b]pyrrole-5-carboxylic acid has a molecular weight of 209.27 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methylthieno[3,2-b]pyrrole-5-carboxylic acid is sourced from PubChem (CID 3240156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).