5-[3-(fluoromethyl)azetidin-1-yl]-3-methyl-1,2,4-thiadiazole

C7H10FN3S — CID 121185046

IUPAC5-[3-(fluoromethyl)azetidin-1-yl]-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(N2CC(CF)C2)n1
InChIInChI=1S/C7H10FN3S/c1-5-9-7(12-10-5)11-3-6(2-8)4-11/h6H,2-4H2,1H3
InChIKeyFYOHTPUTPUOQOA-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.25
Rot. Bonds2

About 5-[3-(fluoromethyl)azetidin-1-yl]-3-methyl-1,2,4-thiadiazole

5-[3-(fluoromethyl)azetidin-1-yl]-3-methyl-1,2,4-thiadiazole (PubChem CID 121185046) has the molecular formula C7H10FN3S and a molecular weight of 187.24 g/mol. Its IUPAC name is 5-[3-(fluoromethyl)azetidin-1-yl]-3-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[3-(fluoromethyl)azetidin-1-yl]-3-methyl-1,2,4-thiadiazole
PubChem CID121185046
Molecular FormulaC7H10FN3S
Molecular Weight187.24 g/mol
Exact Mass187.06
IUPAC Name5-[3-(fluoromethyl)azetidin-1-yl]-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(N2CC(CF)C2)n1
InChIInChI=1S/C7H10FN3S/c1-5-9-7(12-10-5)11-3-6(2-8)4-11/h6H,2-4H2,1H3
InChIKeyFYOHTPUTPUOQOA-UHFFFAOYSA-N
XLogP1.25
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 ≤ 51.25
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
[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-yl]methanamine
CID 107306271
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-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
3-Cyclopropyl-5-(3-fluoroazetidin-1-yl)-1,2,4-thiadiazole
CID 130677833

Frequently Asked Questions

What is the IUPAC name of 5-[3-(fluoromethyl)azetidin-1-yl]-3-methyl-1,2,4-thiadiazole?
The IUPAC name of 5-[3-(fluoromethyl)azetidin-1-yl]-3-methyl-1,2,4-thiadiazole (CID 121185046) is 5-[3-(fluoromethyl)azetidin-1-yl]-3-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-[3-(fluoromethyl)azetidin-1-yl]-3-methyl-1,2,4-thiadiazole?
The canonical SMILES for 5-[3-(fluoromethyl)azetidin-1-yl]-3-methyl-1,2,4-thiadiazole is Cc1nsc(N2CC(CF)C2)n1.
What is the InChIKey of 5-[3-(fluoromethyl)azetidin-1-yl]-3-methyl-1,2,4-thiadiazole?
The InChIKey is FYOHTPUTPUOQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3S/c1-5-9-7(12-10-5)11-3-6(2-8)4-11/h6H,2-4H2,1H3.
What are the key properties of 5-[3-(fluoromethyl)azetidin-1-yl]-3-methyl-1,2,4-thiadiazole?
5-[3-(fluoromethyl)azetidin-1-yl]-3-methyl-1,2,4-thiadiazole has a molecular weight of 187.24 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(fluoromethyl)azetidin-1-yl]-3-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 121185046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).