2-(1-cyclobutylethylamino)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C11H14N4OS — CID 133417784

IUPAC2-(1-cyclobutylethylamino)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCC(Nc1nn2c(=O)ccnc2s1)C1CCC1
InChIInChI=1S/C11H14N4OS/c1-7(8-3-2-4-8)13-10-14-15-9(16)5-6-12-11(15)17-10/h5-8H,2-4H2,1H3,(H,13,14)
InChIKeyGOLPSGLGUDCHLP-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.75
Rot. Bonds3

About 2-(1-cyclobutylethylamino)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

2-(1-cyclobutylethylamino)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 133417784) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 2-(1-cyclobutylethylamino)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-(1-cyclobutylethylamino)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID133417784
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name2-(1-cyclobutylethylamino)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCC(Nc1nn2c(=O)ccnc2s1)C1CCC1
InChIInChI=1S/C11H14N4OS/c1-7(8-3-2-4-8)13-10-14-15-9(16)5-6-12-11(15)17-10/h5-8H,2-4H2,1H3,(H,13,14)
InChIKeyGOLPSGLGUDCHLP-UHFFFAOYSA-N
XLogP1.75
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclobutylethylamino)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2-(1-cyclobutylethylamino)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 133417784) is 2-(1-cyclobutylethylamino)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-(1-cyclobutylethylamino)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2-(1-cyclobutylethylamino)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is CC(Nc1nn2c(=O)ccnc2s1)C1CCC1.
What is the InChIKey of 2-(1-cyclobutylethylamino)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is GOLPSGLGUDCHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-7(8-3-2-4-8)13-10-14-15-9(16)5-6-12-11(15)17-10/h5-8H,2-4H2,1H3,(H,13,14).
What are the key properties of 2-(1-cyclobutylethylamino)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
2-(1-cyclobutylethylamino)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 250.33 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclobutylethylamino)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 133417784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).