3-amino-N-prop-2-enyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

C12H10F3N3OS — CID 79879964

IUPAC3-amino-N-prop-2-enyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESC=CCNC(=O)c1sc2nc(C(F)(F)F)ccc2c1N
InChIInChI=1S/C12H10F3N3OS/c1-2-5-17-10(19)9-8(16)6-3-4-7(12(13,14)15)18-11(6)20-9/h2-4H,1,5,16H2,(H,17,19)
InChIKeyNWORUXHXJGSGMJ-UHFFFAOYSA-N
MW301.29 g/mol
LogP2.81
Rot. Bonds3

About 3-amino-N-prop-2-enyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-N-prop-2-enyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 79879964) has the molecular formula C12H10F3N3OS and a molecular weight of 301.29 g/mol. Its IUPAC name is 3-amino-N-prop-2-enyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-prop-2-enyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID79879964
Molecular FormulaC12H10F3N3OS
Molecular Weight301.29 g/mol
Exact Mass301.05
IUPAC Name3-amino-N-prop-2-enyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESC=CCNC(=O)c1sc2nc(C(F)(F)F)ccc2c1N
InChIInChI=1S/C12H10F3N3OS/c1-2-5-17-10(19)9-8(16)6-3-4-7(12(13,14)15)18-11(6)20-9/h2-4H,1,5,16H2,(H,17,19)
InChIKeyNWORUXHXJGSGMJ-UHFFFAOYSA-N
XLogP2.81
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-N-prop-2-enyl-6-(trifluoromethyl)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-prop-2-enyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-prop-2-enyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 79879964) is 3-amino-N-prop-2-enyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-prop-2-enyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-prop-2-enyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is C=CCNC(=O)c1sc2nc(C(F)(F)F)ccc2c1N.
What is the InChIKey of 3-amino-N-prop-2-enyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is NWORUXHXJGSGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3OS/c1-2-5-17-10(19)9-8(16)6-3-4-7(12(13,14)15)18-11(6)20-9/h2-4H,1,5,16H2,(H,17,19).
What are the key properties of 3-amino-N-prop-2-enyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-prop-2-enyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 301.29 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-prop-2-enyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 79879964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).