5-pyrazol-1-yl-1,2,4-thiadiazole

C5H4N4S — CID 65277359

IUPAC5-pyrazol-1-yl-1,2,4-thiadiazole
SMILESc1cnn(-c2ncns2)c1
InChIInChI=1S/C5H4N4S/c1-2-7-9(3-1)5-6-4-8-10-5/h1-4H
InChIKeyQURCGJDNFRMSMS-UHFFFAOYSA-N
MW152.18 g/mol
LogP0.72
Rot. Bonds1

About 5-pyrazol-1-yl-1,2,4-thiadiazole

5-pyrazol-1-yl-1,2,4-thiadiazole (PubChem CID 65277359) has the molecular formula C5H4N4S and a molecular weight of 152.18 g/mol. Its IUPAC name is 5-pyrazol-1-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-pyrazol-1-yl-1,2,4-thiadiazole
PubChem CID65277359
Molecular FormulaC5H4N4S
Molecular Weight152.18 g/mol
Exact Mass152.02
IUPAC Name5-pyrazol-1-yl-1,2,4-thiadiazole
SMILESc1cnn(-c2ncns2)c1
InChIInChI=1S/C5H4N4S/c1-2-7-9(3-1)5-6-4-8-10-5/h1-4H
InChIKeyQURCGJDNFRMSMS-UHFFFAOYSA-N
XLogP0.72
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.18
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-pyrazol-1-yl-1,2,4-thiadiazole 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 5-pyrazol-1-yl-1,2,4-thiadiazole?
The IUPAC name of 5-pyrazol-1-yl-1,2,4-thiadiazole (CID 65277359) is 5-pyrazol-1-yl-1,2,4-thiadiazole.
What is the SMILES notation for 5-pyrazol-1-yl-1,2,4-thiadiazole?
The canonical SMILES for 5-pyrazol-1-yl-1,2,4-thiadiazole is c1cnn(-c2ncns2)c1.
What is the InChIKey of 5-pyrazol-1-yl-1,2,4-thiadiazole?
The InChIKey is QURCGJDNFRMSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4S/c1-2-7-9(3-1)5-6-4-8-10-5/h1-4H.
What are the key properties of 5-pyrazol-1-yl-1,2,4-thiadiazole?
5-pyrazol-1-yl-1,2,4-thiadiazole has a molecular weight of 152.18 g/mol, XLogP of 0.72, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrazol-1-yl-1,2,4-thiadiazole is sourced from PubChem (CID 65277359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).