ethyl 4-[(3-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylate

C16H14FNO2S — CID 1438903

IUPACethyl 4-[(3-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2sccc2n1Cc1cccc(F)c1
InChIInChI=1S/C16H14FNO2S/c1-2-20-16(19)14-9-15-13(6-7-21-15)18(14)10-11-4-3-5-12(17)8-11/h3-9H,2,10H2,1H3
InChIKeyNIUVJVLEKUTZQZ-UHFFFAOYSA-N
MW303.36 g/mol
LogP4.07
Rot. Bonds4

About ethyl 4-[(3-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylate

ethyl 4-[(3-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylate (PubChem CID 1438903) has the molecular formula C16H14FNO2S and a molecular weight of 303.36 g/mol. Its IUPAC name is ethyl 4-[(3-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(3-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylate
PubChem CID1438903
Molecular FormulaC16H14FNO2S
Molecular Weight303.36 g/mol
Exact Mass303.07
IUPAC Nameethyl 4-[(3-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2sccc2n1Cc1cccc(F)c1
InChIInChI=1S/C16H14FNO2S/c1-2-20-16(19)14-9-15-13(6-7-21-15)18(14)10-11-4-3-5-12(17)8-11/h3-9H,2,10H2,1H3
InChIKeyNIUVJVLEKUTZQZ-UHFFFAOYSA-N
XLogP4.07
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[(3-fluorophenyl)methyl]thieno[3,2-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 4-[(3-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of ethyl 4-[(3-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylate (CID 1438903) is ethyl 4-[(3-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for ethyl 4-[(3-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for ethyl 4-[(3-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylate is CCOC(=O)c1cc2sccc2n1Cc1cccc(F)c1.
What is the InChIKey of ethyl 4-[(3-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylate?
The InChIKey is NIUVJVLEKUTZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2S/c1-2-20-16(19)14-9-15-13(6-7-21-15)18(14)10-11-4-3-5-12(17)8-11/h3-9H,2,10H2,1H3.
What are the key properties of ethyl 4-[(3-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylate?
ethyl 4-[(3-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylate has a molecular weight of 303.36 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 1438903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).