4-anilinothieno[3,2-c]pyridine-6-carbonitrile

C14H9N3S — CID 53325885

IUPAC4-anilinothieno[3,2-c]pyridine-6-carbonitrile
SMILESN#Cc1cc2sccc2c(Nc2ccccc2)n1
InChIInChI=1S/C14H9N3S/c15-9-11-8-13-12(6-7-18-13)14(17-11)16-10-4-2-1-3-5-10/h1-8H,(H,16,17)
InChIKeyAOBNCLIBTQZINR-UHFFFAOYSA-N
MW251.31 g/mol
LogP3.91
Rot. Bonds2

About 4-anilinothieno[3,2-c]pyridine-6-carbonitrile

4-anilinothieno[3,2-c]pyridine-6-carbonitrile (PubChem CID 53325885) has the molecular formula C14H9N3S and a molecular weight of 251.31 g/mol. Its IUPAC name is 4-anilinothieno[3,2-c]pyridine-6-carbonitrile.

Molecular Properties

Compound Name4-anilinothieno[3,2-c]pyridine-6-carbonitrile
PubChem CID53325885
Molecular FormulaC14H9N3S
Molecular Weight251.31 g/mol
Exact Mass251.05
IUPAC Name4-anilinothieno[3,2-c]pyridine-6-carbonitrile
SMILESN#Cc1cc2sccc2c(Nc2ccccc2)n1
InChIInChI=1S/C14H9N3S/c15-9-11-8-13-12(6-7-18-13)14(17-11)16-10-4-2-1-3-5-10/h1-8H,(H,16,17)
InChIKeyAOBNCLIBTQZINR-UHFFFAOYSA-N
XLogP3.91
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-anilinothieno[3,2-c]pyridine-6-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 4-anilinothieno[3,2-c]pyridine-6-carbonitrile?
The IUPAC name of 4-anilinothieno[3,2-c]pyridine-6-carbonitrile (CID 53325885) is 4-anilinothieno[3,2-c]pyridine-6-carbonitrile.
What is the SMILES notation for 4-anilinothieno[3,2-c]pyridine-6-carbonitrile?
The canonical SMILES for 4-anilinothieno[3,2-c]pyridine-6-carbonitrile is N#Cc1cc2sccc2c(Nc2ccccc2)n1.
What is the InChIKey of 4-anilinothieno[3,2-c]pyridine-6-carbonitrile?
The InChIKey is AOBNCLIBTQZINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3S/c15-9-11-8-13-12(6-7-18-13)14(17-11)16-10-4-2-1-3-5-10/h1-8H,(H,16,17).
What are the key properties of 4-anilinothieno[3,2-c]pyridine-6-carbonitrile?
4-anilinothieno[3,2-c]pyridine-6-carbonitrile has a molecular weight of 251.31 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilinothieno[3,2-c]pyridine-6-carbonitrile is sourced from PubChem (CID 53325885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).