3-amino-4,6-dimethyl-5-prop-2-enylthieno[2,3-b]pyridine-2-carbonitrile

C13H13N3S — CID 23939164

IUPAC3-amino-4,6-dimethyl-5-prop-2-enylthieno[2,3-b]pyridine-2-carbonitrile
SMILESC=CCc1c(C)nc2sc(C#N)c(N)c2c1C
InChIInChI=1S/C13H13N3S/c1-4-5-9-7(2)11-12(15)10(6-14)17-13(11)16-8(9)3/h4H,1,5,15H2,2-3H3
InChIKeyZQKFASXWLFMSOI-UHFFFAOYSA-N
MW243.33 g/mol
LogP3.10
Rot. Bonds2

About 3-amino-4,6-dimethyl-5-prop-2-enylthieno[2,3-b]pyridine-2-carbonitrile

3-amino-4,6-dimethyl-5-prop-2-enylthieno[2,3-b]pyridine-2-carbonitrile (PubChem CID 23939164) has the molecular formula C13H13N3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 3-amino-4,6-dimethyl-5-prop-2-enylthieno[2,3-b]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-4,6-dimethyl-5-prop-2-enylthieno[2,3-b]pyridine-2-carbonitrile
PubChem CID23939164
Molecular FormulaC13H13N3S
Molecular Weight243.33 g/mol
Exact Mass243.08
IUPAC Name3-amino-4,6-dimethyl-5-prop-2-enylthieno[2,3-b]pyridine-2-carbonitrile
SMILESC=CCc1c(C)nc2sc(C#N)c(N)c2c1C
InChIInChI=1S/C13H13N3S/c1-4-5-9-7(2)11-12(15)10(6-14)17-13(11)16-8(9)3/h4H,1,5,15H2,2-3H3
InChIKeyZQKFASXWLFMSOI-UHFFFAOYSA-N
XLogP3.10
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-4,6-dimethyl-5-prop-2-enylthieno[2,3-b]pyridine-2-carbonitrile 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-4,6-dimethyl-5-prop-2-enylthieno[2,3-b]pyridine-2-carbonitrile?
The IUPAC name of 3-amino-4,6-dimethyl-5-prop-2-enylthieno[2,3-b]pyridine-2-carbonitrile (CID 23939164) is 3-amino-4,6-dimethyl-5-prop-2-enylthieno[2,3-b]pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-4,6-dimethyl-5-prop-2-enylthieno[2,3-b]pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-4,6-dimethyl-5-prop-2-enylthieno[2,3-b]pyridine-2-carbonitrile is C=CCc1c(C)nc2sc(C#N)c(N)c2c1C.
What is the InChIKey of 3-amino-4,6-dimethyl-5-prop-2-enylthieno[2,3-b]pyridine-2-carbonitrile?
The InChIKey is ZQKFASXWLFMSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3S/c1-4-5-9-7(2)11-12(15)10(6-14)17-13(11)16-8(9)3/h4H,1,5,15H2,2-3H3.
What are the key properties of 3-amino-4,6-dimethyl-5-prop-2-enylthieno[2,3-b]pyridine-2-carbonitrile?
3-amino-4,6-dimethyl-5-prop-2-enylthieno[2,3-b]pyridine-2-carbonitrile has a molecular weight of 243.33 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,6-dimethyl-5-prop-2-enylthieno[2,3-b]pyridine-2-carbonitrile is sourced from PubChem (CID 23939164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).