methyl 4-(3-aminophenyl)thieno[2,3-c]pyridine-2-carboxylate

C15H12N2O2S — CID 141024151

IUPACmethyl 4-(3-aminophenyl)thieno[2,3-c]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2c(-c3cccc(N)c3)cncc2s1
InChIInChI=1S/C15H12N2O2S/c1-19-15(18)13-6-11-12(7-17-8-14(11)20-13)9-3-2-4-10(16)5-9/h2-8H,16H2,1H3
InChIKeyZIRRIIOBNLIYOO-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.33
Rot. Bonds2

About methyl 4-(3-aminophenyl)thieno[2,3-c]pyridine-2-carboxylate

methyl 4-(3-aminophenyl)thieno[2,3-c]pyridine-2-carboxylate (PubChem CID 141024151) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is methyl 4-(3-aminophenyl)thieno[2,3-c]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-aminophenyl)thieno[2,3-c]pyridine-2-carboxylate
PubChem CID141024151
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Namemethyl 4-(3-aminophenyl)thieno[2,3-c]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2c(-c3cccc(N)c3)cncc2s1
InChIInChI=1S/C15H12N2O2S/c1-19-15(18)13-6-11-12(7-17-8-14(11)20-13)9-3-2-4-10(16)5-9/h2-8H,16H2,1H3
InChIKeyZIRRIIOBNLIYOO-UHFFFAOYSA-N
XLogP3.33
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze methyl 4-(3-aminophenyl)thieno[2,3-c]pyridine-2-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 methyl 4-(3-aminophenyl)thieno[2,3-c]pyridine-2-carboxylate?
The IUPAC name of methyl 4-(3-aminophenyl)thieno[2,3-c]pyridine-2-carboxylate (CID 141024151) is methyl 4-(3-aminophenyl)thieno[2,3-c]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-(3-aminophenyl)thieno[2,3-c]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-(3-aminophenyl)thieno[2,3-c]pyridine-2-carboxylate is COC(=O)c1cc2c(-c3cccc(N)c3)cncc2s1.
What is the InChIKey of methyl 4-(3-aminophenyl)thieno[2,3-c]pyridine-2-carboxylate?
The InChIKey is ZIRRIIOBNLIYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c1-19-15(18)13-6-11-12(7-17-8-14(11)20-13)9-3-2-4-10(16)5-9/h2-8H,16H2,1H3.
What are the key properties of methyl 4-(3-aminophenyl)thieno[2,3-c]pyridine-2-carboxylate?
methyl 4-(3-aminophenyl)thieno[2,3-c]pyridine-2-carboxylate has a molecular weight of 284.34 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-aminophenyl)thieno[2,3-c]pyridine-2-carboxylate is sourced from PubChem (CID 141024151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).