2-amino-4-[6-(2-hydroxyethoxy)-3-pyridinyl]-6-(1,3-thiazol-4-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile

C18H14N6O2S2 — CID 24771924

IUPAC2-amino-4-[6-(2-hydroxyethoxy)-3-pyridinyl]-6-(1,3-thiazol-4-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SCc2cscn2)c(C#N)c1-c1ccc(OCCO)nc1
InChIInChI=1S/C18H14N6O2S2/c19-5-13-16(11-1-2-15(22-7-11)26-4-3-25)14(6-20)18(24-17(13)21)28-9-12-8-27-10-23-12/h1-2,7-8,10,25H,3-4,9H2,(H2,21,24)
InChIKeyVYTNHWJQGMYDDX-UHFFFAOYSA-N
MW410.48 g/mol
LogP2.59
Rot. Bonds7

About 2-amino-4-[6-(2-hydroxyethoxy)-3-pyridinyl]-6-(1,3-thiazol-4-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile

2-amino-4-[6-(2-hydroxyethoxy)-3-pyridinyl]-6-(1,3-thiazol-4-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile (PubChem CID 24771924) has the molecular formula C18H14N6O2S2 and a molecular weight of 410.48 g/mol. Its IUPAC name is 2-amino-4-[6-(2-hydroxyethoxy)-3-pyridinyl]-6-(1,3-thiazol-4-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-[6-(2-hydroxyethoxy)-3-pyridinyl]-6-(1,3-thiazol-4-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile
PubChem CID24771924
Molecular FormulaC18H14N6O2S2
Molecular Weight410.48 g/mol
Exact Mass410.06
IUPAC Name2-amino-4-[6-(2-hydroxyethoxy)-3-pyridinyl]-6-(1,3-thiazol-4-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SCc2cscn2)c(C#N)c1-c1ccc(OCCO)nc1
InChIInChI=1S/C18H14N6O2S2/c19-5-13-16(11-1-2-15(22-7-11)26-4-3-25)14(6-20)18(24-17(13)21)28-9-12-8-27-10-23-12/h1-2,7-8,10,25H,3-4,9H2,(H2,21,24)
InChIKeyVYTNHWJQGMYDDX-UHFFFAOYSA-N
XLogP2.59
TPSA141.73 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[6-(2-hydroxyethoxy)-3-pyridinyl]-6-(1,3-thiazol-4-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-[6-(2-hydroxyethoxy)-3-pyridinyl]-6-(1,3-thiazol-4-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile (CID 24771924) is 2-amino-4-[6-(2-hydroxyethoxy)-3-pyridinyl]-6-(1,3-thiazol-4-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-[6-(2-hydroxyethoxy)-3-pyridinyl]-6-(1,3-thiazol-4-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-[6-(2-hydroxyethoxy)-3-pyridinyl]-6-(1,3-thiazol-4-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile is N#Cc1c(N)nc(SCc2cscn2)c(C#N)c1-c1ccc(OCCO)nc1.
What is the InChIKey of 2-amino-4-[6-(2-hydroxyethoxy)-3-pyridinyl]-6-(1,3-thiazol-4-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile?
The InChIKey is VYTNHWJQGMYDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O2S2/c19-5-13-16(11-1-2-15(22-7-11)26-4-3-25)14(6-20)18(24-17(13)21)28-9-12-8-27-10-23-12/h1-2,7-8,10,25H,3-4,9H2,(H2,21,24).
What are the key properties of 2-amino-4-[6-(2-hydroxyethoxy)-3-pyridinyl]-6-(1,3-thiazol-4-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile?
2-amino-4-[6-(2-hydroxyethoxy)-3-pyridinyl]-6-(1,3-thiazol-4-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile has a molecular weight of 410.48 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[6-(2-hydroxyethoxy)-3-pyridinyl]-6-(1,3-thiazol-4-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 24771924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).