5-(trifluoromethyl)-1,2,4-thiadiazole

C3HF3N2S — CID 90766337

IUPAC5-(trifluoromethyl)-1,2,4-thiadiazole
SMILESFC(F)(F)c1ncns1
InChIInChI=1S/C3HF3N2S/c4-3(5,6)2-7-1-8-9-2/h1H
InChIKeyJKKGKFSYRDUVTR-UHFFFAOYSA-N
MW154.12 g/mol
LogP1.56
Rot. Bonds

About 5-(trifluoromethyl)-1,2,4-thiadiazole

5-(trifluoromethyl)-1,2,4-thiadiazole (PubChem CID 90766337) has the molecular formula C3HF3N2S and a molecular weight of 154.12 g/mol. Its IUPAC name is 5-(trifluoromethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(trifluoromethyl)-1,2,4-thiadiazole
PubChem CID90766337
Molecular FormulaC3HF3N2S
Molecular Weight154.12 g/mol
Exact Mass153.98
IUPAC Name5-(trifluoromethyl)-1,2,4-thiadiazole
SMILESFC(F)(F)c1ncns1
InChIInChI=1S/C3HF3N2S/c4-3(5,6)2-7-1-8-9-2/h1H
InChIKeyJKKGKFSYRDUVTR-UHFFFAOYSA-N
XLogP1.56
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-1,2,4-thiadiazole?
The IUPAC name of 5-(trifluoromethyl)-1,2,4-thiadiazole (CID 90766337) is 5-(trifluoromethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-(trifluoromethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-(trifluoromethyl)-1,2,4-thiadiazole is FC(F)(F)c1ncns1.
What is the InChIKey of 5-(trifluoromethyl)-1,2,4-thiadiazole?
The InChIKey is JKKGKFSYRDUVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF3N2S/c4-3(5,6)2-7-1-8-9-2/h1H.
What are the key properties of 5-(trifluoromethyl)-1,2,4-thiadiazole?
5-(trifluoromethyl)-1,2,4-thiadiazole has a molecular weight of 154.12 g/mol, XLogP of 1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 90766337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).