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

C8H12FN3S — CID 131089204

IUPAC5-(3-fluoroazetidin-1-yl)-3-propan-2-yl-1,2,4-thiadiazole
SMILESCC(C)c1nsc(N2CC(F)C2)n1
InChIInChI=1S/C8H12FN3S/c1-5(2)7-10-8(13-11-7)12-3-6(9)4-12/h5-6H,3-4H2,1-2H3
InChIKeyJXOUQECQATWSCY-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.82
Rot. Bonds2

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

5-(3-fluoroazetidin-1-yl)-3-propan-2-yl-1,2,4-thiadiazole (PubChem CID 131089204) has the molecular formula C8H12FN3S and a molecular weight of 201.27 g/mol. Its IUPAC name is 5-(3-fluoroazetidin-1-yl)-3-propan-2-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(3-fluoroazetidin-1-yl)-3-propan-2-yl-1,2,4-thiadiazole
PubChem CID131089204
Molecular FormulaC8H12FN3S
Molecular Weight201.27 g/mol
Exact Mass201.07
IUPAC Name5-(3-fluoroazetidin-1-yl)-3-propan-2-yl-1,2,4-thiadiazole
SMILESCC(C)c1nsc(N2CC(F)C2)n1
InChIInChI=1S/C8H12FN3S/c1-5(2)7-10-8(13-11-7)12-3-6(9)4-12/h5-6H,3-4H2,1-2H3
InChIKeyJXOUQECQATWSCY-UHFFFAOYSA-N
XLogP1.82
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.82
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
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 107489529
N-(2-bromoethyl)-3-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 107490322
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
5-(3-Fluoroazetidin-1-yl)-3-methyl-1,2,4-thiadiazole
CID 126995187
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

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoroazetidin-1-yl)-3-propan-2-yl-1,2,4-thiadiazole?
The IUPAC name of 5-(3-fluoroazetidin-1-yl)-3-propan-2-yl-1,2,4-thiadiazole (CID 131089204) is 5-(3-fluoroazetidin-1-yl)-3-propan-2-yl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(3-fluoroazetidin-1-yl)-3-propan-2-yl-1,2,4-thiadiazole?
The canonical SMILES for 5-(3-fluoroazetidin-1-yl)-3-propan-2-yl-1,2,4-thiadiazole is CC(C)c1nsc(N2CC(F)C2)n1.
What is the InChIKey of 5-(3-fluoroazetidin-1-yl)-3-propan-2-yl-1,2,4-thiadiazole?
The InChIKey is JXOUQECQATWSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3S/c1-5(2)7-10-8(13-11-7)12-3-6(9)4-12/h5-6H,3-4H2,1-2H3.
What are the key properties of 5-(3-fluoroazetidin-1-yl)-3-propan-2-yl-1,2,4-thiadiazole?
5-(3-fluoroazetidin-1-yl)-3-propan-2-yl-1,2,4-thiadiazole has a molecular weight of 201.27 g/mol, XLogP of 1.82, 2 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-propan-2-yl-1,2,4-thiadiazole is sourced from PubChem (CID 131089204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).