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

C8H12FN3S — CID 167763654

IUPAC3-ethyl-5-[3-(fluoromethyl)azetidin-1-yl]-1,2,4-thiadiazole
SMILESCCc1nsc(N2CC(CF)C2)n1
InChIInChI=1S/C8H12FN3S/c1-2-7-10-8(13-11-7)12-4-6(3-9)5-12/h6H,2-5H2,1H3
InChIKeyDJPAQXRMAMUTGT-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.51
Rot. Bonds3

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

3-ethyl-5-[3-(fluoromethyl)azetidin-1-yl]-1,2,4-thiadiazole (PubChem CID 167763654) has the molecular formula C8H12FN3S and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-ethyl-5-[3-(fluoromethyl)azetidin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-ethyl-5-[3-(fluoromethyl)azetidin-1-yl]-1,2,4-thiadiazole
PubChem CID167763654
Molecular FormulaC8H12FN3S
Molecular Weight201.27 g/mol
Exact Mass201.07
IUPAC Name3-ethyl-5-[3-(fluoromethyl)azetidin-1-yl]-1,2,4-thiadiazole
SMILESCCc1nsc(N2CC(CF)C2)n1
InChIInChI=1S/C8H12FN3S/c1-2-7-10-8(13-11-7)12-4-6(3-9)5-12/h6H,2-5H2,1H3
InChIKeyDJPAQXRMAMUTGT-UHFFFAOYSA-N
XLogP1.51
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.51
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-(fluoromethyl)azetidin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-ethyl-5-[3-(fluoromethyl)azetidin-1-yl]-1,2,4-thiadiazole (CID 167763654) is 3-ethyl-5-[3-(fluoromethyl)azetidin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-ethyl-5-[3-(fluoromethyl)azetidin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-ethyl-5-[3-(fluoromethyl)azetidin-1-yl]-1,2,4-thiadiazole is CCc1nsc(N2CC(CF)C2)n1.
What is the InChIKey of 3-ethyl-5-[3-(fluoromethyl)azetidin-1-yl]-1,2,4-thiadiazole?
The InChIKey is DJPAQXRMAMUTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3S/c1-2-7-10-8(13-11-7)12-4-6(3-9)5-12/h6H,2-5H2,1H3.
What are the key properties of 3-ethyl-5-[3-(fluoromethyl)azetidin-1-yl]-1,2,4-thiadiazole?
3-ethyl-5-[3-(fluoromethyl)azetidin-1-yl]-1,2,4-thiadiazole has a molecular weight of 201.27 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[3-(fluoromethyl)azetidin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 167763654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).