3-amino-N-(3-fluoro-4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide

C15H12FN3OS — CID 16767035

IUPAC3-amino-N-(3-fluoro-4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2sc3ncccc3c2N)cc1F
InChIInChI=1S/C15H12FN3OS/c1-8-4-5-9(7-11(8)16)19-14(20)13-12(17)10-3-2-6-18-15(10)21-13/h2-7H,17H2,1H3,(H,19,20)
InChIKeyHIMDIZAOGMJVEH-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.58
Rot. Bonds2

About 3-amino-N-(3-fluoro-4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-N-(3-fluoro-4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 16767035) has the molecular formula C15H12FN3OS and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-amino-N-(3-fluoro-4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-fluoro-4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID16767035
Molecular FormulaC15H12FN3OS
Molecular Weight301.35 g/mol
Exact Mass301.07
IUPAC Name3-amino-N-(3-fluoro-4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2sc3ncccc3c2N)cc1F
InChIInChI=1S/C15H12FN3OS/c1-8-4-5-9(7-11(8)16)19-14(20)13-12(17)10-3-2-6-18-15(10)21-13/h2-7H,17H2,1H3,(H,19,20)
InChIKeyHIMDIZAOGMJVEH-UHFFFAOYSA-N
XLogP3.58
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-(3-fluoro-4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide 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 3-amino-N-(3-fluoro-4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(3-fluoro-4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide (CID 16767035) is 3-amino-N-(3-fluoro-4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(3-fluoro-4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(3-fluoro-4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide is Cc1ccc(NC(=O)c2sc3ncccc3c2N)cc1F.
What is the InChIKey of 3-amino-N-(3-fluoro-4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is HIMDIZAOGMJVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3OS/c1-8-4-5-9(7-11(8)16)19-14(20)13-12(17)10-3-2-6-18-15(10)21-13/h2-7H,17H2,1H3,(H,19,20).
What are the key properties of 3-amino-N-(3-fluoro-4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(3-fluoro-4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 3.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-fluoro-4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 16767035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).