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

C7H8F3N3S — CID 105480257

IUPAC2-(azetidin-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESFC(F)(F)c1nnc(CC2CNC2)s1
InChIInChI=1S/C7H8F3N3S/c8-7(9,10)6-13-12-5(14-6)1-4-2-11-3-4/h4,11H,1-3H2
InChIKeyAKDRWOQVWSHOJW-UHFFFAOYSA-N
MW223.22 g/mol
LogP1.32
Rot. Bonds2

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

2-(azetidin-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazole (PubChem CID 105480257) has the molecular formula C7H8F3N3S and a molecular weight of 223.22 g/mol. Its IUPAC name is 2-(azetidin-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(azetidin-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazole
PubChem CID105480257
Molecular FormulaC7H8F3N3S
Molecular Weight223.22 g/mol
Exact Mass223.04
IUPAC Name2-(azetidin-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESFC(F)(F)c1nnc(CC2CNC2)s1
InChIInChI=1S/C7H8F3N3S/c8-7(9,10)6-13-12-5(14-6)1-4-2-11-3-4/h4,11H,1-3H2
InChIKeyAKDRWOQVWSHOJW-UHFFFAOYSA-N
XLogP1.32
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(azetidin-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazole (CID 105480257) is 2-(azetidin-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(azetidin-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(azetidin-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazole is FC(F)(F)c1nnc(CC2CNC2)s1.
What is the InChIKey of 2-(azetidin-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazole?
The InChIKey is AKDRWOQVWSHOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3S/c8-7(9,10)6-13-12-5(14-6)1-4-2-11-3-4/h4,11H,1-3H2.
What are the key properties of 2-(azetidin-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazole?
2-(azetidin-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazole has a molecular weight of 223.22 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 105480257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).