2-(2-azabicyclo[2.2.1]heptan-2-yl)-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C14H18N4OS — CID 133271674

IUPAC2-(2-azabicyclo[2.2.1]heptan-2-yl)-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCCCc1cc(=O)n2nc(N3CC4CCC3C4)sc2n1
InChIInChI=1S/C14H18N4OS/c1-2-3-10-7-12(19)18-13(15-10)20-14(16-18)17-8-9-4-5-11(17)6-9/h7,9,11H,2-6,8H2,1H3
InChIKeyINLPWEFRIWAXMT-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.09
Rot. Bonds3

About 2-(2-azabicyclo[2.2.1]heptan-2-yl)-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

2-(2-azabicyclo[2.2.1]heptan-2-yl)-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 133271674) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-(2-azabicyclo[2.2.1]heptan-2-yl)-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-(2-azabicyclo[2.2.1]heptan-2-yl)-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID133271674
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name2-(2-azabicyclo[2.2.1]heptan-2-yl)-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCCCc1cc(=O)n2nc(N3CC4CCC3C4)sc2n1
InChIInChI=1S/C14H18N4OS/c1-2-3-10-7-12(19)18-13(15-10)20-14(16-18)17-8-9-4-5-11(17)6-9/h7,9,11H,2-6,8H2,1H3
InChIKeyINLPWEFRIWAXMT-UHFFFAOYSA-N
XLogP2.09
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 133271674) is 2-(2-azabicyclo[2.2.1]heptan-2-yl)-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-(2-azabicyclo[2.2.1]heptan-2-yl)-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2-(2-azabicyclo[2.2.1]heptan-2-yl)-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is CCCc1cc(=O)n2nc(N3CC4CCC3C4)sc2n1.
What is the InChIKey of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is INLPWEFRIWAXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-2-3-10-7-12(19)18-13(15-10)20-14(16-18)17-8-9-4-5-11(17)6-9/h7,9,11H,2-6,8H2,1H3.
What are the key properties of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
2-(2-azabicyclo[2.2.1]heptan-2-yl)-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 290.39 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azabicyclo[2.2.1]heptan-2-yl)-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 133271674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).