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

C7H10FN3S — CID 130639256

IUPAC3-ethyl-5-(3-fluoroazetidin-1-yl)-1,2,4-thiadiazole
SMILESCCc1nsc(N2CC(F)C2)n1
InChIInChI=1S/C7H10FN3S/c1-2-6-9-7(12-10-6)11-3-5(8)4-11/h5H,2-4H2,1H3
InChIKeySDLWNGIFRXPTSW-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.26
Rot. Bonds2

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

3-ethyl-5-(3-fluoroazetidin-1-yl)-1,2,4-thiadiazole (PubChem CID 130639256) has the molecular formula C7H10FN3S and a molecular weight of 187.24 g/mol. Its IUPAC name is 3-ethyl-5-(3-fluoroazetidin-1-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-ethyl-5-(3-fluoroazetidin-1-yl)-1,2,4-thiadiazole
PubChem CID130639256
Molecular FormulaC7H10FN3S
Molecular Weight187.24 g/mol
Exact Mass187.06
IUPAC Name3-ethyl-5-(3-fluoroazetidin-1-yl)-1,2,4-thiadiazole
SMILESCCc1nsc(N2CC(F)C2)n1
InChIInChI=1S/C7H10FN3S/c1-2-6-9-7(12-10-6)11-3-5(8)4-11/h5H,2-4H2,1H3
InChIKeySDLWNGIFRXPTSW-UHFFFAOYSA-N
XLogP1.26
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(3-fluoroazetidin-1-yl)-1,2,4-thiadiazole?
The IUPAC name of 3-ethyl-5-(3-fluoroazetidin-1-yl)-1,2,4-thiadiazole (CID 130639256) is 3-ethyl-5-(3-fluoroazetidin-1-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-ethyl-5-(3-fluoroazetidin-1-yl)-1,2,4-thiadiazole?
The canonical SMILES for 3-ethyl-5-(3-fluoroazetidin-1-yl)-1,2,4-thiadiazole is CCc1nsc(N2CC(F)C2)n1.
What is the InChIKey of 3-ethyl-5-(3-fluoroazetidin-1-yl)-1,2,4-thiadiazole?
The InChIKey is SDLWNGIFRXPTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3S/c1-2-6-9-7(12-10-6)11-3-5(8)4-11/h5H,2-4H2,1H3.
What are the key properties of 3-ethyl-5-(3-fluoroazetidin-1-yl)-1,2,4-thiadiazole?
3-ethyl-5-(3-fluoroazetidin-1-yl)-1,2,4-thiadiazole has a molecular weight of 187.24 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(3-fluoroazetidin-1-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 130639256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).