3-ethyl-5-fluoro-1,2,4-thiadiazole

C4H5FN2S — CID 123276911

IUPAC3-ethyl-5-fluoro-1,2,4-thiadiazole
SMILESCCc1nsc(F)n1
InChIInChI=1S/C4H5FN2S/c1-2-3-6-4(5)8-7-3/h2H2,1H3
InChIKeyKQWYEHGWVAXOLD-UHFFFAOYSA-N
MW132.16 g/mol
LogP1.24
Rot. Bonds1

About 3-ethyl-5-fluoro-1,2,4-thiadiazole

3-ethyl-5-fluoro-1,2,4-thiadiazole (PubChem CID 123276911) has the molecular formula C4H5FN2S and a molecular weight of 132.16 g/mol. Its IUPAC name is 3-ethyl-5-fluoro-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-ethyl-5-fluoro-1,2,4-thiadiazole
PubChem CID123276911
Molecular FormulaC4H5FN2S
Molecular Weight132.16 g/mol
Exact Mass132.02
IUPAC Name3-ethyl-5-fluoro-1,2,4-thiadiazole
SMILESCCc1nsc(F)n1
InChIInChI=1S/C4H5FN2S/c1-2-3-6-4(5)8-7-3/h2H2,1H3
InChIKeyKQWYEHGWVAXOLD-UHFFFAOYSA-N
XLogP1.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Propyl-1,2,4-thiadiazol-5-amine
CID 575489
5-Amino-3-ethyl-1,2,4-thiadiazole
CID 2756430
5-Chloro-3-ethyl-1,2,4-thiadiazole
CID 14763517
5-Bromo-3-ethyl-1,2,4-thiadiazole
CID 53418423
3-Methyl-5-(tributylstannyl)-1,2,4-thiadiazole
CID 59693891
3,5-Diethyl-1,2,4-thiadiazole
CID 67571441
5-Bromo-3-propyl-1,2,4-thiadiazole
CID 65274018
5-Propan-2-yl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 59300522
3-(3,3,3-Trifluoro-propyl)-[1,2,4]thiadiazol-5-ylamine
CID 66898934
5-Ethyl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 68235669
5-Fluoro-3-methyl-1,2,4-thiadiazole
CID 68382243
3-Propyl-5-(trifluoromethyl)-1,2,4-thiadiazole
CID 91804931

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-fluoro-1,2,4-thiadiazole?
The IUPAC name of 3-ethyl-5-fluoro-1,2,4-thiadiazole (CID 123276911) is 3-ethyl-5-fluoro-1,2,4-thiadiazole.
What is the SMILES notation for 3-ethyl-5-fluoro-1,2,4-thiadiazole?
The canonical SMILES for 3-ethyl-5-fluoro-1,2,4-thiadiazole is CCc1nsc(F)n1.
What is the InChIKey of 3-ethyl-5-fluoro-1,2,4-thiadiazole?
The InChIKey is KQWYEHGWVAXOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FN2S/c1-2-3-6-4(5)8-7-3/h2H2,1H3.
What are the key properties of 3-ethyl-5-fluoro-1,2,4-thiadiazole?
3-ethyl-5-fluoro-1,2,4-thiadiazole has a molecular weight of 132.16 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-fluoro-1,2,4-thiadiazole is sourced from PubChem (CID 123276911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).