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

C14H9N3S — CID 15353724

IUPAC2-anilinothieno[3,2-c]pyridine-3-carbonitrile
SMILESN#Cc1c(Nc2ccccc2)sc2ccncc12
InChIInChI=1S/C14H9N3S/c15-8-11-12-9-16-7-6-13(12)18-14(11)17-10-4-2-1-3-5-10/h1-7,9,17H
InChIKeyXQMOKTQSYKVRFB-UHFFFAOYSA-N
MW251.31 g/mol
LogP3.91
Rot. Bonds2

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

2-anilinothieno[3,2-c]pyridine-3-carbonitrile (PubChem CID 15353724) has the molecular formula C14H9N3S and a molecular weight of 251.31 g/mol. Its IUPAC name is 2-anilinothieno[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-anilinothieno[3,2-c]pyridine-3-carbonitrile
PubChem CID15353724
Molecular FormulaC14H9N3S
Molecular Weight251.31 g/mol
Exact Mass251.05
IUPAC Name2-anilinothieno[3,2-c]pyridine-3-carbonitrile
SMILESN#Cc1c(Nc2ccccc2)sc2ccncc12
InChIInChI=1S/C14H9N3S/c15-8-11-12-9-16-7-6-13(12)18-14(11)17-10-4-2-1-3-5-10/h1-7,9,17H
InChIKeyXQMOKTQSYKVRFB-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

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Frequently Asked Questions

What is the IUPAC name of 2-anilinothieno[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of 2-anilinothieno[3,2-c]pyridine-3-carbonitrile (CID 15353724) is 2-anilinothieno[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-anilinothieno[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-anilinothieno[3,2-c]pyridine-3-carbonitrile is N#Cc1c(Nc2ccccc2)sc2ccncc12.
What is the InChIKey of 2-anilinothieno[3,2-c]pyridine-3-carbonitrile?
The InChIKey is XQMOKTQSYKVRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3S/c15-8-11-12-9-16-7-6-13(12)18-14(11)17-10-4-2-1-3-5-10/h1-7,9,17H.
What are the key properties of 2-anilinothieno[3,2-c]pyridine-3-carbonitrile?
2-anilinothieno[3,2-c]pyridine-3-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 2-anilinothieno[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 15353724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).