3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbonitrile

C12H13N3S — CID 3689734

IUPAC3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbonitrile
SMILESCCc1c(C)nc2sc(C#N)c(N)c2c1C
InChIInChI=1S/C12H13N3S/c1-4-8-6(2)10-11(14)9(5-13)16-12(10)15-7(8)3/h4,14H2,1-3H3
InChIKeyUUJGLZRXEIKCSC-UHFFFAOYSA-N
MW231.32 g/mol
LogP2.93
Rot. Bonds1

About 3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbonitrile

3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbonitrile (PubChem CID 3689734) has the molecular formula C12H13N3S and a molecular weight of 231.32 g/mol. Its IUPAC name is 3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbonitrile
PubChem CID3689734
Molecular FormulaC12H13N3S
Molecular Weight231.32 g/mol
Exact Mass231.08
IUPAC Name3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbonitrile
SMILESCCc1c(C)nc2sc(C#N)c(N)c2c1C
InChIInChI=1S/C12H13N3S/c1-4-8-6(2)10-11(14)9(5-13)16-12(10)15-7(8)3/h4,14H2,1-3H3
InChIKeyUUJGLZRXEIKCSC-UHFFFAOYSA-N
XLogP2.93
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-amino-5-ethyl-4,6-dimethylthieno[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-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbonitrile?
The IUPAC name of 3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbonitrile (CID 3689734) is 3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbonitrile is CCc1c(C)nc2sc(C#N)c(N)c2c1C.
What is the InChIKey of 3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbonitrile?
The InChIKey is UUJGLZRXEIKCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3S/c1-4-8-6(2)10-11(14)9(5-13)16-12(10)15-7(8)3/h4,14H2,1-3H3.
What are the key properties of 3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbonitrile?
3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbonitrile has a molecular weight of 231.32 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbonitrile is sourced from PubChem (CID 3689734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).