3-amino-4-anilinothieno[2,3-b]pyridine-2-carbonitrile

C14H10N4S — CID 793761

IUPAC3-amino-4-anilinothieno[2,3-b]pyridine-2-carbonitrile
SMILESN#Cc1sc2nccc(Nc3ccccc3)c2c1N
InChIInChI=1S/C14H10N4S/c15-8-11-13(16)12-10(6-7-17-14(12)19-11)18-9-4-2-1-3-5-9/h1-7H,16H2,(H,17,18)
InChIKeyJRPLZNLNRPUTFS-UHFFFAOYSA-N
MW266.33 g/mol
LogP3.49
Rot. Bonds2

About 3-amino-4-anilinothieno[2,3-b]pyridine-2-carbonitrile

3-amino-4-anilinothieno[2,3-b]pyridine-2-carbonitrile (PubChem CID 793761) has the molecular formula C14H10N4S and a molecular weight of 266.33 g/mol. Its IUPAC name is 3-amino-4-anilinothieno[2,3-b]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-4-anilinothieno[2,3-b]pyridine-2-carbonitrile
PubChem CID793761
Molecular FormulaC14H10N4S
Molecular Weight266.33 g/mol
Exact Mass266.06
IUPAC Name3-amino-4-anilinothieno[2,3-b]pyridine-2-carbonitrile
SMILESN#Cc1sc2nccc(Nc3ccccc3)c2c1N
InChIInChI=1S/C14H10N4S/c15-8-11-13(16)12-10(6-7-17-14(12)19-11)18-9-4-2-1-3-5-9/h1-7H,16H2,(H,17,18)
InChIKeyJRPLZNLNRPUTFS-UHFFFAOYSA-N
XLogP3.49
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-4-anilinothieno[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-anilinothieno[2,3-b]pyridine-2-carbonitrile?
The IUPAC name of 3-amino-4-anilinothieno[2,3-b]pyridine-2-carbonitrile (CID 793761) is 3-amino-4-anilinothieno[2,3-b]pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-4-anilinothieno[2,3-b]pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-4-anilinothieno[2,3-b]pyridine-2-carbonitrile is N#Cc1sc2nccc(Nc3ccccc3)c2c1N.
What is the InChIKey of 3-amino-4-anilinothieno[2,3-b]pyridine-2-carbonitrile?
The InChIKey is JRPLZNLNRPUTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4S/c15-8-11-13(16)12-10(6-7-17-14(12)19-11)18-9-4-2-1-3-5-9/h1-7H,16H2,(H,17,18).
What are the key properties of 3-amino-4-anilinothieno[2,3-b]pyridine-2-carbonitrile?
3-amino-4-anilinothieno[2,3-b]pyridine-2-carbonitrile has a molecular weight of 266.33 g/mol, XLogP of 3.49, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-anilinothieno[2,3-b]pyridine-2-carbonitrile is sourced from PubChem (CID 793761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).