3-[4-[(6-aminothieno[3,2-b]pyridin-7-yl)amino]cyclohexyl]propanenitrile

C16H20N4S — CID 86717433

IUPAC3-[4-[(6-aminothieno[3,2-b]pyridin-7-yl)amino]cyclohexyl]propanenitrile
SMILESN#CCCC1CCC(Nc2c(N)cnc3ccsc23)CC1
InChIInChI=1S/C16H20N4S/c17-8-1-2-11-3-5-12(6-4-11)20-15-13(18)10-19-14-7-9-21-16(14)15/h7,9-12H,1-6,18H2,(H,19,20)
InChIKeyISYUELQWJPOPSO-UHFFFAOYSA-N
MW300.43 g/mol
LogP4.15
Rot. Bonds4

About 3-[4-[(6-aminothieno[3,2-b]pyridin-7-yl)amino]cyclohexyl]propanenitrile

3-[4-[(6-aminothieno[3,2-b]pyridin-7-yl)amino]cyclohexyl]propanenitrile (PubChem CID 86717433) has the molecular formula C16H20N4S and a molecular weight of 300.43 g/mol. Its IUPAC name is 3-[4-[(6-aminothieno[3,2-b]pyridin-7-yl)amino]cyclohexyl]propanenitrile.

Molecular Properties

Compound Name3-[4-[(6-aminothieno[3,2-b]pyridin-7-yl)amino]cyclohexyl]propanenitrile
PubChem CID86717433
Molecular FormulaC16H20N4S
Molecular Weight300.43 g/mol
Exact Mass300.14
IUPAC Name3-[4-[(6-aminothieno[3,2-b]pyridin-7-yl)amino]cyclohexyl]propanenitrile
SMILESN#CCCC1CCC(Nc2c(N)cnc3ccsc23)CC1
InChIInChI=1S/C16H20N4S/c17-8-1-2-11-3-5-12(6-4-11)20-15-13(18)10-19-14-7-9-21-16(14)15/h7,9-12H,1-6,18H2,(H,19,20)
InChIKeyISYUELQWJPOPSO-UHFFFAOYSA-N
XLogP4.15
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(6-aminothieno[3,2-b]pyridin-7-yl)amino]cyclohexyl]propanenitrile?
The IUPAC name of 3-[4-[(6-aminothieno[3,2-b]pyridin-7-yl)amino]cyclohexyl]propanenitrile (CID 86717433) is 3-[4-[(6-aminothieno[3,2-b]pyridin-7-yl)amino]cyclohexyl]propanenitrile.
What is the SMILES notation for 3-[4-[(6-aminothieno[3,2-b]pyridin-7-yl)amino]cyclohexyl]propanenitrile?
The canonical SMILES for 3-[4-[(6-aminothieno[3,2-b]pyridin-7-yl)amino]cyclohexyl]propanenitrile is N#CCCC1CCC(Nc2c(N)cnc3ccsc23)CC1.
What is the InChIKey of 3-[4-[(6-aminothieno[3,2-b]pyridin-7-yl)amino]cyclohexyl]propanenitrile?
The InChIKey is ISYUELQWJPOPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4S/c17-8-1-2-11-3-5-12(6-4-11)20-15-13(18)10-19-14-7-9-21-16(14)15/h7,9-12H,1-6,18H2,(H,19,20).
What are the key properties of 3-[4-[(6-aminothieno[3,2-b]pyridin-7-yl)amino]cyclohexyl]propanenitrile?
3-[4-[(6-aminothieno[3,2-b]pyridin-7-yl)amino]cyclohexyl]propanenitrile has a molecular weight of 300.43 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(6-aminothieno[3,2-b]pyridin-7-yl)amino]cyclohexyl]propanenitrile is sourced from PubChem (CID 86717433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).