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

C6H5F3N2S — CID 91155524

IUPAC3-cyclopropyl-5-(trifluoromethyl)-1,2,4-thiadiazole
SMILESFC(F)(F)c1nc(C2CC2)ns1
InChIInChI=1S/C6H5F3N2S/c7-6(8,9)5-10-4(11-12-5)3-1-2-3/h3H,1-2H2
InChIKeyPQNCTTRJMMYIJP-UHFFFAOYSA-N
MW194.18 g/mol
LogP2.43
Rot. Bonds1

About 3-cyclopropyl-5-(trifluoromethyl)-1,2,4-thiadiazole

3-cyclopropyl-5-(trifluoromethyl)-1,2,4-thiadiazole (PubChem CID 91155524) has the molecular formula C6H5F3N2S and a molecular weight of 194.18 g/mol. Its IUPAC name is 3-cyclopropyl-5-(trifluoromethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-(trifluoromethyl)-1,2,4-thiadiazole
PubChem CID91155524
Molecular FormulaC6H5F3N2S
Molecular Weight194.18 g/mol
Exact Mass194.01
IUPAC Name3-cyclopropyl-5-(trifluoromethyl)-1,2,4-thiadiazole
SMILESFC(F)(F)c1nc(C2CC2)ns1
InChIInChI=1S/C6H5F3N2S/c7-6(8,9)5-10-4(11-12-5)3-1-2-3/h3H,1-2H2
InChIKeyPQNCTTRJMMYIJP-UHFFFAOYSA-N
XLogP2.43
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(trifluoromethyl)-1,2,4-thiadiazole?
The IUPAC name of 3-cyclopropyl-5-(trifluoromethyl)-1,2,4-thiadiazole (CID 91155524) is 3-cyclopropyl-5-(trifluoromethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-cyclopropyl-5-(trifluoromethyl)-1,2,4-thiadiazole?
The canonical SMILES for 3-cyclopropyl-5-(trifluoromethyl)-1,2,4-thiadiazole is FC(F)(F)c1nc(C2CC2)ns1.
What is the InChIKey of 3-cyclopropyl-5-(trifluoromethyl)-1,2,4-thiadiazole?
The InChIKey is PQNCTTRJMMYIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2S/c7-6(8,9)5-10-4(11-12-5)3-1-2-3/h3H,1-2H2.
What are the key properties of 3-cyclopropyl-5-(trifluoromethyl)-1,2,4-thiadiazole?
3-cyclopropyl-5-(trifluoromethyl)-1,2,4-thiadiazole has a molecular weight of 194.18 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(trifluoromethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 91155524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).