2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C13H18N4O2S — CID 133439502

IUPAC2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCC1(C)CC(Nc2nn3c(=O)ccnc3s2)C(C)(C)O1
InChIInChI=1S/C13H18N4O2S/c1-12(2)7-8(13(3,4)19-12)15-10-16-17-9(18)5-6-14-11(17)20-10/h5-6,8H,7H2,1-4H3,(H,15,16)
InChIKeyFOFLKZBCAOBGLO-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.91
Rot. Bonds2

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

2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 133439502) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID133439502
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCC1(C)CC(Nc2nn3c(=O)ccnc3s2)C(C)(C)O1
InChIInChI=1S/C13H18N4O2S/c1-12(2)7-8(13(3,4)19-12)15-10-16-17-9(18)5-6-14-11(17)20-10/h5-6,8H,7H2,1-4H3,(H,15,16)
InChIKeyFOFLKZBCAOBGLO-UHFFFAOYSA-N
XLogP1.91
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 133439502) is 2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is CC1(C)CC(Nc2nn3c(=O)ccnc3s2)C(C)(C)O1.
What is the InChIKey of 2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is FOFLKZBCAOBGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-12(2)7-8(13(3,4)19-12)15-10-16-17-9(18)5-6-14-11(17)20-10/h5-6,8H,7H2,1-4H3,(H,15,16).
What are the key properties of 2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 294.38 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 133439502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).