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

C3H2F2N2S — CID 123281310

IUPAC5-(difluoromethyl)-1,2,4-thiadiazole
SMILESFC(F)c1ncns1
InChIInChI=1S/C3H2F2N2S/c4-2(5)3-6-1-7-8-3/h1-2H
InChIKeyCAKKVFPZQWEFLR-UHFFFAOYSA-N
MW136.13 g/mol
LogP1.48
Rot. Bonds1

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

5-(difluoromethyl)-1,2,4-thiadiazole (PubChem CID 123281310) has the molecular formula C3H2F2N2S and a molecular weight of 136.13 g/mol. Its IUPAC name is 5-(difluoromethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(difluoromethyl)-1,2,4-thiadiazole
PubChem CID123281310
Molecular FormulaC3H2F2N2S
Molecular Weight136.13 g/mol
Exact Mass135.99
IUPAC Name5-(difluoromethyl)-1,2,4-thiadiazole
SMILESFC(F)c1ncns1
InChIInChI=1S/C3H2F2N2S/c4-2(5)3-6-1-7-8-3/h1-2H
InChIKeyCAKKVFPZQWEFLR-UHFFFAOYSA-N
XLogP1.48
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.13
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-1,2,4-thiadiazole?
The IUPAC name of 5-(difluoromethyl)-1,2,4-thiadiazole (CID 123281310) is 5-(difluoromethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-(difluoromethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-(difluoromethyl)-1,2,4-thiadiazole is FC(F)c1ncns1.
What is the InChIKey of 5-(difluoromethyl)-1,2,4-thiadiazole?
The InChIKey is CAKKVFPZQWEFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F2N2S/c4-2(5)3-6-1-7-8-3/h1-2H.
What are the key properties of 5-(difluoromethyl)-1,2,4-thiadiazole?
5-(difluoromethyl)-1,2,4-thiadiazole has a molecular weight of 136.13 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 123281310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).