thiadiazolo[5,4-d]pyrimidine

C4H2N4S — CID 45080540

IUPACthiadiazolo[5,4-d]pyrimidine
SMILESc1ncc2nnsc2n1
InChIInChI=1S/C4H2N4S/c1-3-4(6-2-5-1)9-8-7-3/h1-2H
InChIKeyPWVGMQFTWJTCNG-UHFFFAOYSA-N
MW138.16 g/mol
LogP0.48
Rot. Bonds

About thiadiazolo[5,4-d]pyrimidine

thiadiazolo[5,4-d]pyrimidine (PubChem CID 45080540) has the molecular formula C4H2N4S and a molecular weight of 138.16 g/mol. Its IUPAC name is thiadiazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Namethiadiazolo[5,4-d]pyrimidine
PubChem CID45080540
Molecular FormulaC4H2N4S
Molecular Weight138.16 g/mol
Exact Mass138.00
IUPAC Namethiadiazolo[5,4-d]pyrimidine
SMILESc1ncc2nnsc2n1
InChIInChI=1S/C4H2N4S/c1-3-4(6-2-5-1)9-8-7-3/h1-2H
InChIKeyPWVGMQFTWJTCNG-UHFFFAOYSA-N
XLogP0.48
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.16
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze thiadiazolo[5,4-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of thiadiazolo[5,4-d]pyrimidine?
The IUPAC name of thiadiazolo[5,4-d]pyrimidine (CID 45080540) is thiadiazolo[5,4-d]pyrimidine.
What is the SMILES notation for thiadiazolo[5,4-d]pyrimidine?
The canonical SMILES for thiadiazolo[5,4-d]pyrimidine is c1ncc2nnsc2n1.
What is the InChIKey of thiadiazolo[5,4-d]pyrimidine?
The InChIKey is PWVGMQFTWJTCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2N4S/c1-3-4(6-2-5-1)9-8-7-3/h1-2H.
What are the key properties of thiadiazolo[5,4-d]pyrimidine?
thiadiazolo[5,4-d]pyrimidine has a molecular weight of 138.16 g/mol, XLogP of 0.48, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for thiadiazolo[5,4-d]pyrimidine is sourced from PubChem (CID 45080540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).