thiadiazolo[5,4-d]pyrimidine-5-carbonitrile

C5HN5S — CID 171378023

IUPACthiadiazolo[5,4-d]pyrimidine-5-carbonitrile
SMILESN#Cc1ncc2nnsc2n1
InChIInChI=1S/C5HN5S/c6-1-4-7-2-3-5(8-4)11-10-9-3/h2H
InChIKeyPCVCNHPUPYKHIC-UHFFFAOYSA-N
MW163.16 g/mol
LogP0.35
Rot. Bonds

About thiadiazolo[5,4-d]pyrimidine-5-carbonitrile

thiadiazolo[5,4-d]pyrimidine-5-carbonitrile (PubChem CID 171378023) has the molecular formula C5HN5S and a molecular weight of 163.16 g/mol. Its IUPAC name is thiadiazolo[5,4-d]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Namethiadiazolo[5,4-d]pyrimidine-5-carbonitrile
PubChem CID171378023
Molecular FormulaC5HN5S
Molecular Weight163.16 g/mol
Exact Mass163.00
IUPAC Namethiadiazolo[5,4-d]pyrimidine-5-carbonitrile
SMILESN#Cc1ncc2nnsc2n1
InChIInChI=1S/C5HN5S/c6-1-4-7-2-3-5(8-4)11-10-9-3/h2H
InChIKeyPCVCNHPUPYKHIC-UHFFFAOYSA-N
XLogP0.35
TPSA75.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.16
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze thiadiazolo[5,4-d]pyrimidine-5-carbonitrile 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-5-carbonitrile?
The IUPAC name of thiadiazolo[5,4-d]pyrimidine-5-carbonitrile (CID 171378023) is thiadiazolo[5,4-d]pyrimidine-5-carbonitrile.
What is the SMILES notation for thiadiazolo[5,4-d]pyrimidine-5-carbonitrile?
The canonical SMILES for thiadiazolo[5,4-d]pyrimidine-5-carbonitrile is N#Cc1ncc2nnsc2n1.
What is the InChIKey of thiadiazolo[5,4-d]pyrimidine-5-carbonitrile?
The InChIKey is PCVCNHPUPYKHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HN5S/c6-1-4-7-2-3-5(8-4)11-10-9-3/h2H.
What are the key properties of thiadiazolo[5,4-d]pyrimidine-5-carbonitrile?
thiadiazolo[5,4-d]pyrimidine-5-carbonitrile has a molecular weight of 163.16 g/mol, XLogP of 0.35, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for thiadiazolo[5,4-d]pyrimidine-5-carbonitrile is sourced from PubChem (CID 171378023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).