3-amino-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile

C12H7N3S2 — CID 690882

IUPAC3-amino-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile
SMILESN#Cc1sc2nc(-c3cccs3)ccc2c1N
InChIInChI=1S/C12H7N3S2/c13-6-10-11(14)7-3-4-8(15-12(7)17-10)9-2-1-5-16-9/h1-5H,14H2
InChIKeySLSQADMUXUBCRY-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.48
Rot. Bonds1

About 3-amino-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile

3-amino-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile (PubChem CID 690882) has the molecular formula C12H7N3S2 and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-amino-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile
PubChem CID690882
Molecular FormulaC12H7N3S2
Molecular Weight257.34 g/mol
Exact Mass257.01
IUPAC Name3-amino-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile
SMILESN#Cc1sc2nc(-c3cccs3)ccc2c1N
InChIInChI=1S/C12H7N3S2/c13-6-10-11(14)7-3-4-8(15-12(7)17-10)9-2-1-5-16-9/h1-5H,14H2
InChIKeySLSQADMUXUBCRY-UHFFFAOYSA-N
XLogP3.48
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile (CID 690882) is 3-amino-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile is N#Cc1sc2nc(-c3cccs3)ccc2c1N.
What is the InChIKey of 3-amino-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile?
The InChIKey is SLSQADMUXUBCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N3S2/c13-6-10-11(14)7-3-4-8(15-12(7)17-10)9-2-1-5-16-9/h1-5H,14H2.
What are the key properties of 3-amino-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile?
3-amino-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile has a molecular weight of 257.34 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile is sourced from PubChem (CID 690882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).