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

C8H10FN3S — CID 130677833

IUPAC3-cyclopropyl-5-(3-fluoroazetidin-1-yl)-1,2,4-thiadiazole
SMILESFC1CN(c2nc(C3CC3)ns2)C1
InChIInChI=1S/C8H10FN3S/c9-6-3-12(4-6)8-10-7(11-13-8)5-1-2-5/h5-6H,1-4H2
InChIKeyLWADCKMOVJUHHQ-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.57
Rot. Bonds2

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

3-cyclopropyl-5-(3-fluoroazetidin-1-yl)-1,2,4-thiadiazole (PubChem CID 130677833) has the molecular formula C8H10FN3S and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-cyclopropyl-5-(3-fluoroazetidin-1-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-(3-fluoroazetidin-1-yl)-1,2,4-thiadiazole
PubChem CID130677833
Molecular FormulaC8H10FN3S
Molecular Weight199.25 g/mol
Exact Mass199.06
IUPAC Name3-cyclopropyl-5-(3-fluoroazetidin-1-yl)-1,2,4-thiadiazole
SMILESFC1CN(c2nc(C3CC3)ns2)C1
InChIInChI=1S/C8H10FN3S/c9-6-3-12(4-6)8-10-7(11-13-8)5-1-2-5/h5-6H,1-4H2
InChIKeyLWADCKMOVJUHHQ-UHFFFAOYSA-N
XLogP1.57
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.57
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
N-(2-bromoethyl)-3-cyclopropyl-N-(2,2-difluoroethyl)-1,2,4-thiadiazol-5-amine
CID 107489305
N-(2-bromoethyl)-3-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 107490186
1-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)-4,4-difluoropiperidine
CID 121184656
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
1-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)-3-fluoropiperidine
CID 126776536
5-(3-Fluoroazetidin-1-yl)-3-methyl-1,2,4-thiadiazole
CID 126995187
3-cyclopropyl-5-[(3R)-3-fluoropiperidin-1-yl]-1,2,4-thiadiazole
CID 129349568
3-cyclopropyl-5-[(3S)-3-fluoropiperidin-1-yl]-1,2,4-thiadiazole
CID 129349569
3-Ethyl-5-(3-fluoroazetidin-1-yl)-1,2,4-thiadiazole
CID 130639256

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(3-fluoroazetidin-1-yl)-1,2,4-thiadiazole?
The IUPAC name of 3-cyclopropyl-5-(3-fluoroazetidin-1-yl)-1,2,4-thiadiazole (CID 130677833) is 3-cyclopropyl-5-(3-fluoroazetidin-1-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-cyclopropyl-5-(3-fluoroazetidin-1-yl)-1,2,4-thiadiazole?
The canonical SMILES for 3-cyclopropyl-5-(3-fluoroazetidin-1-yl)-1,2,4-thiadiazole is FC1CN(c2nc(C3CC3)ns2)C1.
What is the InChIKey of 3-cyclopropyl-5-(3-fluoroazetidin-1-yl)-1,2,4-thiadiazole?
The InChIKey is LWADCKMOVJUHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3S/c9-6-3-12(4-6)8-10-7(11-13-8)5-1-2-5/h5-6H,1-4H2.
What are the key properties of 3-cyclopropyl-5-(3-fluoroazetidin-1-yl)-1,2,4-thiadiazole?
3-cyclopropyl-5-(3-fluoroazetidin-1-yl)-1,2,4-thiadiazole has a molecular weight of 199.25 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(3-fluoroazetidin-1-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 130677833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).