2-(azetidin-3-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole

C6H6F3N3S — CID 105462605

IUPAC2-(azetidin-3-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESFC(F)(F)c1nnc(C2CNC2)s1
InChIInChI=1S/C6H6F3N3S/c7-6(8,9)5-12-11-4(13-5)3-1-10-2-3/h3,10H,1-2H2
InChIKeyNDWUYNNNXNMZOD-UHFFFAOYSA-N
MW209.20 g/mol
LogP1.24
Rot. Bonds1

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

2-(azetidin-3-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole (PubChem CID 105462605) has the molecular formula C6H6F3N3S and a molecular weight of 209.20 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(azetidin-3-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole
PubChem CID105462605
Molecular FormulaC6H6F3N3S
Molecular Weight209.20 g/mol
Exact Mass209.02
IUPAC Name2-(azetidin-3-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESFC(F)(F)c1nnc(C2CNC2)s1
InChIInChI=1S/C6H6F3N3S/c7-6(8,9)5-12-11-4(13-5)3-1-10-2-3/h3,10H,1-2H2
InChIKeyNDWUYNNNXNMZOD-UHFFFAOYSA-N
XLogP1.24
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(azetidin-3-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole (CID 105462605) is 2-(azetidin-3-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(azetidin-3-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(azetidin-3-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole is FC(F)(F)c1nnc(C2CNC2)s1.
What is the InChIKey of 2-(azetidin-3-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole?
The InChIKey is NDWUYNNNXNMZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3S/c7-6(8,9)5-12-11-4(13-5)3-1-10-2-3/h3,10H,1-2H2.
What are the key properties of 2-(azetidin-3-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole?
2-(azetidin-3-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole has a molecular weight of 209.20 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 105462605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).