3-(1H-pyrazol-5-yl)-1,2,4-thiadiazole

C5H4N4S — CID 141139364

IUPAC3-(1H-pyrazol-5-yl)-1,2,4-thiadiazole
SMILESc1cc(-c2ncsn2)[nH]n1
InChIInChI=1S/C5H4N4S/c1-2-7-8-4(1)5-6-3-10-9-5/h1-3H,(H,7,8)
InChIKeyLOTWSCWJSQWSMH-UHFFFAOYSA-N
MW152.18 g/mol
LogP0.93
Rot. Bonds1

About 3-(1H-pyrazol-5-yl)-1,2,4-thiadiazole

3-(1H-pyrazol-5-yl)-1,2,4-thiadiazole (PubChem CID 141139364) has the molecular formula C5H4N4S and a molecular weight of 152.18 g/mol. Its IUPAC name is 3-(1H-pyrazol-5-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(1H-pyrazol-5-yl)-1,2,4-thiadiazole
PubChem CID141139364
Molecular FormulaC5H4N4S
Molecular Weight152.18 g/mol
Exact Mass152.02
IUPAC Name3-(1H-pyrazol-5-yl)-1,2,4-thiadiazole
SMILESc1cc(-c2ncsn2)[nH]n1
InChIInChI=1S/C5H4N4S/c1-2-7-8-4(1)5-6-3-10-9-5/h1-3H,(H,7,8)
InChIKeyLOTWSCWJSQWSMH-UHFFFAOYSA-N
XLogP0.93
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.18
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(1H-pyrazol-5-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 3-(1H-pyrazol-5-yl)-1,2,4-thiadiazole?
The IUPAC name of 3-(1H-pyrazol-5-yl)-1,2,4-thiadiazole (CID 141139364) is 3-(1H-pyrazol-5-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-(1H-pyrazol-5-yl)-1,2,4-thiadiazole?
The canonical SMILES for 3-(1H-pyrazol-5-yl)-1,2,4-thiadiazole is c1cc(-c2ncsn2)[nH]n1.
What is the InChIKey of 3-(1H-pyrazol-5-yl)-1,2,4-thiadiazole?
The InChIKey is LOTWSCWJSQWSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4S/c1-2-7-8-4(1)5-6-3-10-9-5/h1-3H,(H,7,8).
What are the key properties of 3-(1H-pyrazol-5-yl)-1,2,4-thiadiazole?
3-(1H-pyrazol-5-yl)-1,2,4-thiadiazole has a molecular weight of 152.18 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrazol-5-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 141139364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).