5-(3-fluoroazetidin-1-yl)-3-methyl-1,2,4-thiadiazole

C6H8FN3S — CID 126995187

IUPAC5-(3-fluoroazetidin-1-yl)-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(N2CC(F)C2)n1
InChIInChI=1S/C6H8FN3S/c1-4-8-6(11-9-4)10-2-5(7)3-10/h5H,2-3H2,1H3
InChIKeyXLXWQCASNMDCDF-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.00
Rot. Bonds1

About 5-(3-fluoroazetidin-1-yl)-3-methyl-1,2,4-thiadiazole

5-(3-fluoroazetidin-1-yl)-3-methyl-1,2,4-thiadiazole (PubChem CID 126995187) has the molecular formula C6H8FN3S and a molecular weight of 173.22 g/mol. Its IUPAC name is 5-(3-fluoroazetidin-1-yl)-3-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(3-fluoroazetidin-1-yl)-3-methyl-1,2,4-thiadiazole
PubChem CID126995187
Molecular FormulaC6H8FN3S
Molecular Weight173.22 g/mol
Exact Mass173.04
IUPAC Name5-(3-fluoroazetidin-1-yl)-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(N2CC(F)C2)n1
InChIInChI=1S/C6H8FN3S/c1-4-8-6(11-9-4)10-2-5(7)3-10/h5H,2-3H2,1H3
InChIKeyXLXWQCASNMDCDF-UHFFFAOYSA-N
XLogP1.00
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.00
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-fluoroazetidin-1-yl)-1,2,4-thiadiazole
CID 169036009
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
5-(3-(Fluoromethyl)azetidin-1-yl)-3-methyl-1,2,4-thiadiazole
CID 121185046
3-Cyclopropyl-5-[3-(fluoromethyl)azetidin-1-yl]-1,2,4-thiadiazole
CID 121185047
N-(2,2-difluoroethyl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine
CID 126787153
5-(3,3-Difluoropyrrolidin-1-yl)-3-methyl-1,2,4-thiadiazole
CID 126990337
3-Ethyl-5-(3-fluoroazetidin-1-yl)-1,2,4-thiadiazole
CID 130639256
5-(Azetidin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 130659027
3-Cyclopropyl-5-(3-fluoroazetidin-1-yl)-1,2,4-thiadiazole
CID 130677833

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoroazetidin-1-yl)-3-methyl-1,2,4-thiadiazole?
The IUPAC name of 5-(3-fluoroazetidin-1-yl)-3-methyl-1,2,4-thiadiazole (CID 126995187) is 5-(3-fluoroazetidin-1-yl)-3-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(3-fluoroazetidin-1-yl)-3-methyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(3-fluoroazetidin-1-yl)-3-methyl-1,2,4-thiadiazole is Cc1nsc(N2CC(F)C2)n1.
What is the InChIKey of 5-(3-fluoroazetidin-1-yl)-3-methyl-1,2,4-thiadiazole?
The InChIKey is XLXWQCASNMDCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN3S/c1-4-8-6(11-9-4)10-2-5(7)3-10/h5H,2-3H2,1H3.
What are the key properties of 5-(3-fluoroazetidin-1-yl)-3-methyl-1,2,4-thiadiazole?
5-(3-fluoroazetidin-1-yl)-3-methyl-1,2,4-thiadiazole has a molecular weight of 173.22 g/mol, XLogP of 1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoroazetidin-1-yl)-3-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 126995187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).