3-(1,5-dimethylpyrazol-3-yl)-1,2,4-thiadiazole

C7H8N4S — CID 139378716

IUPAC3-(1,5-dimethylpyrazol-3-yl)-1,2,4-thiadiazole
SMILESCc1cc(-c2ncsn2)nn1C
InChIInChI=1S/C7H8N4S/c1-5-3-6(9-11(5)2)7-8-4-12-10-7/h3-4H,1-2H3
InChIKeyIVKPIQBQTOGIFA-UHFFFAOYSA-N
MW180.24 g/mol
LogP1.25
Rot. Bonds1

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

3-(1,5-dimethylpyrazol-3-yl)-1,2,4-thiadiazole (PubChem CID 139378716) has the molecular formula C7H8N4S and a molecular weight of 180.24 g/mol. Its IUPAC name is 3-(1,5-dimethylpyrazol-3-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(1,5-dimethylpyrazol-3-yl)-1,2,4-thiadiazole
PubChem CID139378716
Molecular FormulaC7H8N4S
Molecular Weight180.24 g/mol
Exact Mass180.05
IUPAC Name3-(1,5-dimethylpyrazol-3-yl)-1,2,4-thiadiazole
SMILESCc1cc(-c2ncsn2)nn1C
InChIInChI=1S/C7H8N4S/c1-5-3-6(9-11(5)2)7-8-4-12-10-7/h3-4H,1-2H3
InChIKeyIVKPIQBQTOGIFA-UHFFFAOYSA-N
XLogP1.25
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.24
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1,5-dimethylpyrazol-3-yl)-1,2,4-thiadiazole?
The IUPAC name of 3-(1,5-dimethylpyrazol-3-yl)-1,2,4-thiadiazole (CID 139378716) is 3-(1,5-dimethylpyrazol-3-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-(1,5-dimethylpyrazol-3-yl)-1,2,4-thiadiazole?
The canonical SMILES for 3-(1,5-dimethylpyrazol-3-yl)-1,2,4-thiadiazole is Cc1cc(-c2ncsn2)nn1C.
What is the InChIKey of 3-(1,5-dimethylpyrazol-3-yl)-1,2,4-thiadiazole?
The InChIKey is IVKPIQBQTOGIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4S/c1-5-3-6(9-11(5)2)7-8-4-12-10-7/h3-4H,1-2H3.
What are the key properties of 3-(1,5-dimethylpyrazol-3-yl)-1,2,4-thiadiazole?
3-(1,5-dimethylpyrazol-3-yl)-1,2,4-thiadiazole has a molecular weight of 180.24 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,5-dimethylpyrazol-3-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 139378716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).