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

C9H14FN3S — CID 169036009

IUPAC5-tert-butyl-3-(3-fluoroazetidin-1-yl)-1,2,4-thiadiazole
SMILESCC(C)(C)c1nc(N2CC(F)C2)ns1
InChIInChI=1S/C9H14FN3S/c1-9(2,3)7-11-8(12-14-7)13-4-6(10)5-13/h6H,4-5H2,1-3H3
InChIKeyKJMZQHOZXOUUOL-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.99
Rot. Bonds1

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

5-tert-butyl-3-(3-fluoroazetidin-1-yl)-1,2,4-thiadiazole (PubChem CID 169036009) has the molecular formula C9H14FN3S and a molecular weight of 215.30 g/mol. Its IUPAC name is 5-tert-butyl-3-(3-fluoroazetidin-1-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-tert-butyl-3-(3-fluoroazetidin-1-yl)-1,2,4-thiadiazole
PubChem CID169036009
Molecular FormulaC9H14FN3S
Molecular Weight215.30 g/mol
Exact Mass215.09
IUPAC Name5-tert-butyl-3-(3-fluoroazetidin-1-yl)-1,2,4-thiadiazole
SMILESCC(C)(C)c1nc(N2CC(F)C2)ns1
InChIInChI=1S/C9H14FN3S/c1-9(2,3)7-11-8(12-14-7)13-4-6(10)5-13/h6H,4-5H2,1-3H3
InChIKeyKJMZQHOZXOUUOL-UHFFFAOYSA-N
XLogP1.99
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Tert-butyl-3-fluoro-1,2,4-thiadiazole
CID 146378409
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
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
3-Cyclopropyl-5-(3-fluoroazetidin-1-yl)-1,2,4-thiadiazole
CID 130677833
5-(3-Fluoroazetidin-1-yl)-3-propan-2-yl-1,2,4-thiadiazole
CID 131089204
3-Ethyl-5-[3-(fluoromethyl)azetidin-1-yl]-1,2,4-thiadiazole
CID 167763654
5-[3-(Difluoromethyl)azetidin-1-yl]-3-(propan-2-yl)-1,2,4-thiadiazole
CID 171326416

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-(3-fluoroazetidin-1-yl)-1,2,4-thiadiazole?
The IUPAC name of 5-tert-butyl-3-(3-fluoroazetidin-1-yl)-1,2,4-thiadiazole (CID 169036009) is 5-tert-butyl-3-(3-fluoroazetidin-1-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-tert-butyl-3-(3-fluoroazetidin-1-yl)-1,2,4-thiadiazole?
The canonical SMILES for 5-tert-butyl-3-(3-fluoroazetidin-1-yl)-1,2,4-thiadiazole is CC(C)(C)c1nc(N2CC(F)C2)ns1.
What is the InChIKey of 5-tert-butyl-3-(3-fluoroazetidin-1-yl)-1,2,4-thiadiazole?
The InChIKey is KJMZQHOZXOUUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3S/c1-9(2,3)7-11-8(12-14-7)13-4-6(10)5-13/h6H,4-5H2,1-3H3.
What are the key properties of 5-tert-butyl-3-(3-fluoroazetidin-1-yl)-1,2,4-thiadiazole?
5-tert-butyl-3-(3-fluoroazetidin-1-yl)-1,2,4-thiadiazole has a molecular weight of 215.30 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-(3-fluoroazetidin-1-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 169036009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).