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

C7H8N4S — CID 65278127

IUPAC5-(3,5-dimethylpyrazol-1-yl)-1,2,4-thiadiazole
SMILESCc1cc(C)n(-c2ncns2)n1
InChIInChI=1S/C7H8N4S/c1-5-3-6(2)11(10-5)7-8-4-9-12-7/h3-4H,1-2H3
InChIKeyNNVZAGPZYDBAAN-UHFFFAOYSA-N
MW180.24 g/mol
LogP1.34
Rot. Bonds1

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

5-(3,5-dimethylpyrazol-1-yl)-1,2,4-thiadiazole (PubChem CID 65278127) has the molecular formula C7H8N4S and a molecular weight of 180.24 g/mol. Its IUPAC name is 5-(3,5-dimethylpyrazol-1-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(3,5-dimethylpyrazol-1-yl)-1,2,4-thiadiazole
PubChem CID65278127
Molecular FormulaC7H8N4S
Molecular Weight180.24 g/mol
Exact Mass180.05
IUPAC Name5-(3,5-dimethylpyrazol-1-yl)-1,2,4-thiadiazole
SMILESCc1cc(C)n(-c2ncns2)n1
InChIInChI=1S/C7H8N4S/c1-5-3-6(2)11(10-5)7-8-4-9-12-7/h3-4H,1-2H3
InChIKeyNNVZAGPZYDBAAN-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylpyrazol-1-yl)-1,2,4-thiadiazole?
The IUPAC name of 5-(3,5-dimethylpyrazol-1-yl)-1,2,4-thiadiazole (CID 65278127) is 5-(3,5-dimethylpyrazol-1-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-(3,5-dimethylpyrazol-1-yl)-1,2,4-thiadiazole?
The canonical SMILES for 5-(3,5-dimethylpyrazol-1-yl)-1,2,4-thiadiazole is Cc1cc(C)n(-c2ncns2)n1.
What is the InChIKey of 5-(3,5-dimethylpyrazol-1-yl)-1,2,4-thiadiazole?
The InChIKey is NNVZAGPZYDBAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4S/c1-5-3-6(2)11(10-5)7-8-4-9-12-7/h3-4H,1-2H3.
What are the key properties of 5-(3,5-dimethylpyrazol-1-yl)-1,2,4-thiadiazole?
5-(3,5-dimethylpyrazol-1-yl)-1,2,4-thiadiazole has a molecular weight of 180.24 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylpyrazol-1-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 65278127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).