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

C6H6F3N3S — CID 130659027

IUPAC5-(azetidin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole
SMILESFC(F)(F)c1nsc(N2CCC2)n1
InChIInChI=1S/C6H6F3N3S/c7-6(8,9)4-10-5(13-11-4)12-2-1-3-12/h1-3H2
InChIKeyVGAUWOYXBDYGKV-UHFFFAOYSA-N
MW209.20 g/mol
LogP1.77
Rot. Bonds1

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

5-(azetidin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole (PubChem CID 130659027) has the molecular formula C6H6F3N3S and a molecular weight of 209.20 g/mol. Its IUPAC name is 5-(azetidin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(azetidin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole
PubChem CID130659027
Molecular FormulaC6H6F3N3S
Molecular Weight209.20 g/mol
Exact Mass209.02
IUPAC Name5-(azetidin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole
SMILESFC(F)(F)c1nsc(N2CCC2)n1
InChIInChI=1S/C6H6F3N3S/c7-6(8,9)4-10-5(13-11-4)12-2-1-3-12/h1-3H2
InChIKeyVGAUWOYXBDYGKV-UHFFFAOYSA-N
XLogP1.77
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-(2,2-Difluoroethyl)azetidin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 126794128
5-Tert-butyl-3-(3,3-difluoroazetidin-1-yl)-1,2,4-thiadiazole
CID 169036011
3-(3,3-Difluoroazetidin-1-yl)-5-methyl-1,2,4-thiadiazole
CID 169883076
3-(3-Fluoroazetidin-1-yl)-5-methyl-1,2,4-thiadiazole
CID 169883078
3-[Methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanenitrile
CID 107304502
1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-amine
CID 107305376
[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-yl]methanamine
CID 107306271
N,N-dimethyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 119097218
5-(3-(Fluoromethyl)azetidin-1-yl)-3-methyl-1,2,4-thiadiazole
CID 121185046
N-(2,2-difluoroethyl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine
CID 126787153
5-Pyrrolidin-1-yl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 126973553
5-(3-Fluoroazetidin-1-yl)-3-methyl-1,2,4-thiadiazole
CID 126995187

Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole?
The IUPAC name of 5-(azetidin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole (CID 130659027) is 5-(azetidin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-(azetidin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-(azetidin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole is FC(F)(F)c1nsc(N2CCC2)n1.
What is the InChIKey of 5-(azetidin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole?
The InChIKey is VGAUWOYXBDYGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3S/c7-6(8,9)4-10-5(13-11-4)12-2-1-3-12/h1-3H2.
What are the key properties of 5-(azetidin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole?
5-(azetidin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole has a molecular weight of 209.20 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 130659027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).