thiadiazolo[5,4-d]pyrimidine 3-oxide

C4H2N4OS — CID 69253610

IUPACthiadiazolo[5,4-d]pyrimidine 3-oxide
SMILESO=S1N=Nc2cncnc21
InChIInChI=1S/C4H2N4OS/c9-10-4-3(7-8-10)1-5-2-6-4/h1-2H
InChIKeyXYBNELZIQJRNFY-UHFFFAOYSA-N
MW154.15 g/mol
LogP0.60
Rot. Bonds

About thiadiazolo[5,4-d]pyrimidine 3-oxide

thiadiazolo[5,4-d]pyrimidine 3-oxide (PubChem CID 69253610) has the molecular formula C4H2N4OS and a molecular weight of 154.15 g/mol. Its IUPAC name is thiadiazolo[5,4-d]pyrimidine 3-oxide.

Molecular Properties

Compound Namethiadiazolo[5,4-d]pyrimidine 3-oxide
PubChem CID69253610
Molecular FormulaC4H2N4OS
Molecular Weight154.15 g/mol
Exact Mass153.99
IUPAC Namethiadiazolo[5,4-d]pyrimidine 3-oxide
SMILESO=S1N=Nc2cncnc21
InChIInChI=1S/C4H2N4OS/c9-10-4-3(7-8-10)1-5-2-6-4/h1-2H
InChIKeyXYBNELZIQJRNFY-UHFFFAOYSA-N
XLogP0.60
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.15
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of thiadiazolo[5,4-d]pyrimidine 3-oxide?
The IUPAC name of thiadiazolo[5,4-d]pyrimidine 3-oxide (CID 69253610) is thiadiazolo[5,4-d]pyrimidine 3-oxide.
What is the SMILES notation for thiadiazolo[5,4-d]pyrimidine 3-oxide?
The canonical SMILES for thiadiazolo[5,4-d]pyrimidine 3-oxide is O=S1N=Nc2cncnc21.
What is the InChIKey of thiadiazolo[5,4-d]pyrimidine 3-oxide?
The InChIKey is XYBNELZIQJRNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2N4OS/c9-10-4-3(7-8-10)1-5-2-6-4/h1-2H.
What are the key properties of thiadiazolo[5,4-d]pyrimidine 3-oxide?
thiadiazolo[5,4-d]pyrimidine 3-oxide has a molecular weight of 154.15 g/mol, XLogP of 0.60, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thiadiazolo[5,4-d]pyrimidine 3-oxide is sourced from PubChem (CID 69253610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).