6-aminothieno[2,3-b]pyridine-5-carbonitrile

C8H5N3S — CID 23130750

IUPAC6-aminothieno[2,3-b]pyridine-5-carbonitrile
SMILESN#Cc1cc2ccsc2nc1N
InChIInChI=1S/C8H5N3S/c9-4-6-3-5-1-2-12-8(5)11-7(6)10/h1-3H,(H2,10,11)
InChIKeyCLIOHQNLWYOLCH-UHFFFAOYSA-N
MW175.22 g/mol
LogP1.75
Rot. Bonds

About 6-aminothieno[2,3-b]pyridine-5-carbonitrile

6-aminothieno[2,3-b]pyridine-5-carbonitrile (PubChem CID 23130750) has the molecular formula C8H5N3S and a molecular weight of 175.22 g/mol. Its IUPAC name is 6-aminothieno[2,3-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name6-aminothieno[2,3-b]pyridine-5-carbonitrile
PubChem CID23130750
Molecular FormulaC8H5N3S
Molecular Weight175.22 g/mol
Exact Mass175.02
IUPAC Name6-aminothieno[2,3-b]pyridine-5-carbonitrile
SMILESN#Cc1cc2ccsc2nc1N
InChIInChI=1S/C8H5N3S/c9-4-6-3-5-1-2-12-8(5)11-7(6)10/h1-3H,(H2,10,11)
InChIKeyCLIOHQNLWYOLCH-UHFFFAOYSA-N
XLogP1.75
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.22
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-aminothieno[2,3-b]pyridine-5-carbonitrile?
The IUPAC name of 6-aminothieno[2,3-b]pyridine-5-carbonitrile (CID 23130750) is 6-aminothieno[2,3-b]pyridine-5-carbonitrile.
What is the SMILES notation for 6-aminothieno[2,3-b]pyridine-5-carbonitrile?
The canonical SMILES for 6-aminothieno[2,3-b]pyridine-5-carbonitrile is N#Cc1cc2ccsc2nc1N.
What is the InChIKey of 6-aminothieno[2,3-b]pyridine-5-carbonitrile?
The InChIKey is CLIOHQNLWYOLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3S/c9-4-6-3-5-1-2-12-8(5)11-7(6)10/h1-3H,(H2,10,11).
What are the key properties of 6-aminothieno[2,3-b]pyridine-5-carbonitrile?
6-aminothieno[2,3-b]pyridine-5-carbonitrile has a molecular weight of 175.22 g/mol, XLogP of 1.75, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminothieno[2,3-b]pyridine-5-carbonitrile is sourced from PubChem (CID 23130750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).