ethyl 6-ethylthieno[2,3-b]pyrrole-5-carboxylate

C11H13NO2S — CID 118918143

IUPACethyl 6-ethylthieno[2,3-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2ccsc2n1CC
InChIInChI=1S/C11H13NO2S/c1-3-12-9(11(13)14-4-2)7-8-5-6-15-10(8)12/h5-7H,3-4H2,1-2H3
InChIKeyMZISPIZLVVWUQT-UHFFFAOYSA-N
MW223.30 g/mol
LogP2.90
Rot. Bonds3

About ethyl 6-ethylthieno[2,3-b]pyrrole-5-carboxylate

ethyl 6-ethylthieno[2,3-b]pyrrole-5-carboxylate (PubChem CID 118918143) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is ethyl 6-ethylthieno[2,3-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-ethylthieno[2,3-b]pyrrole-5-carboxylate
PubChem CID118918143
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Nameethyl 6-ethylthieno[2,3-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2ccsc2n1CC
InChIInChI=1S/C11H13NO2S/c1-3-12-9(11(13)14-4-2)7-8-5-6-15-10(8)12/h5-7H,3-4H2,1-2H3
InChIKeyMZISPIZLVVWUQT-UHFFFAOYSA-N
XLogP2.90
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 6-ethylthieno[2,3-b]pyrrole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 6-ethylthieno[2,3-b]pyrrole-5-carboxylate?
The IUPAC name of ethyl 6-ethylthieno[2,3-b]pyrrole-5-carboxylate (CID 118918143) is ethyl 6-ethylthieno[2,3-b]pyrrole-5-carboxylate.
What is the SMILES notation for ethyl 6-ethylthieno[2,3-b]pyrrole-5-carboxylate?
The canonical SMILES for ethyl 6-ethylthieno[2,3-b]pyrrole-5-carboxylate is CCOC(=O)c1cc2ccsc2n1CC.
What is the InChIKey of ethyl 6-ethylthieno[2,3-b]pyrrole-5-carboxylate?
The InChIKey is MZISPIZLVVWUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c1-3-12-9(11(13)14-4-2)7-8-5-6-15-10(8)12/h5-7H,3-4H2,1-2H3.
What are the key properties of ethyl 6-ethylthieno[2,3-b]pyrrole-5-carboxylate?
ethyl 6-ethylthieno[2,3-b]pyrrole-5-carboxylate has a molecular weight of 223.30 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-ethylthieno[2,3-b]pyrrole-5-carboxylate is sourced from PubChem (CID 118918143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).