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

C3HF3N2S — CID 21298103

IUPAC3-(trifluoromethyl)-1,2,4-thiadiazole
SMILESFC(F)(F)c1ncsn1
InChIInChI=1S/C3HF3N2S/c4-3(5,6)2-7-1-9-8-2/h1H
InChIKeyDIOSVZGUZHGFFA-UHFFFAOYSA-N
MW154.12 g/mol
LogP1.56
Rot. Bonds

About 3-(trifluoromethyl)-1,2,4-thiadiazole

3-(trifluoromethyl)-1,2,4-thiadiazole (PubChem CID 21298103) has the molecular formula C3HF3N2S and a molecular weight of 154.12 g/mol. Its IUPAC name is 3-(trifluoromethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(trifluoromethyl)-1,2,4-thiadiazole
PubChem CID21298103
Molecular FormulaC3HF3N2S
Molecular Weight154.12 g/mol
Exact Mass153.98
IUPAC Name3-(trifluoromethyl)-1,2,4-thiadiazole
SMILESFC(F)(F)c1ncsn1
InChIInChI=1S/C3HF3N2S/c4-3(5,6)2-7-1-9-8-2/h1H
InChIKeyDIOSVZGUZHGFFA-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 3-(trifluoromethyl)-1,2,4-thiadiazole?
The IUPAC name of 3-(trifluoromethyl)-1,2,4-thiadiazole (CID 21298103) is 3-(trifluoromethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-(trifluoromethyl)-1,2,4-thiadiazole?
The canonical SMILES for 3-(trifluoromethyl)-1,2,4-thiadiazole is FC(F)(F)c1ncsn1.
What is the InChIKey of 3-(trifluoromethyl)-1,2,4-thiadiazole?
The InChIKey is DIOSVZGUZHGFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF3N2S/c4-3(5,6)2-7-1-9-8-2/h1H.
What are the key properties of 3-(trifluoromethyl)-1,2,4-thiadiazole?
3-(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 3-(trifluoromethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 21298103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).