3-amino-6-propylthieno[2,3-b]pyridine-2-carbonitrile

C11H11N3S — CID 1070232

IUPAC3-amino-6-propylthieno[2,3-b]pyridine-2-carbonitrile
SMILESCCCc1ccc2c(N)c(C#N)sc2n1
InChIInChI=1S/C11H11N3S/c1-2-3-7-4-5-8-10(13)9(6-12)15-11(8)14-7/h4-5H,2-3,13H2,1H3
InChIKeyGYGOURSCOXDJNU-UHFFFAOYSA-N
MW217.30 g/mol
LogP2.70
Rot. Bonds2

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

3-amino-6-propylthieno[2,3-b]pyridine-2-carbonitrile (PubChem CID 1070232) has the molecular formula C11H11N3S and a molecular weight of 217.30 g/mol. Its IUPAC name is 3-amino-6-propylthieno[2,3-b]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-propylthieno[2,3-b]pyridine-2-carbonitrile
PubChem CID1070232
Molecular FormulaC11H11N3S
Molecular Weight217.30 g/mol
Exact Mass217.07
IUPAC Name3-amino-6-propylthieno[2,3-b]pyridine-2-carbonitrile
SMILESCCCc1ccc2c(N)c(C#N)sc2n1
InChIInChI=1S/C11H11N3S/c1-2-3-7-4-5-8-10(13)9(6-12)15-11(8)14-7/h4-5H,2-3,13H2,1H3
InChIKeyGYGOURSCOXDJNU-UHFFFAOYSA-N
XLogP2.70
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.30
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-propylthieno[2,3-b]pyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-propylthieno[2,3-b]pyridine-2-carbonitrile (CID 1070232) is 3-amino-6-propylthieno[2,3-b]pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-propylthieno[2,3-b]pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-propylthieno[2,3-b]pyridine-2-carbonitrile is CCCc1ccc2c(N)c(C#N)sc2n1.
What is the InChIKey of 3-amino-6-propylthieno[2,3-b]pyridine-2-carbonitrile?
The InChIKey is GYGOURSCOXDJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3S/c1-2-3-7-4-5-8-10(13)9(6-12)15-11(8)14-7/h4-5H,2-3,13H2,1H3.
What are the key properties of 3-amino-6-propylthieno[2,3-b]pyridine-2-carbonitrile?
3-amino-6-propylthieno[2,3-b]pyridine-2-carbonitrile has a molecular weight of 217.30 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-propylthieno[2,3-b]pyridine-2-carbonitrile is sourced from PubChem (CID 1070232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).