2-(2-fluoroethyl)-1,3,4-thiadiazole

C4H5FN2S — CID 66881991

IUPAC2-(2-fluoroethyl)-1,3,4-thiadiazole
SMILESFCCc1nncs1
InChIInChI=1S/C4H5FN2S/c5-2-1-4-7-6-3-8-4/h3H,1-2H2
InChIKeyOMVYURPKWDZFGC-UHFFFAOYSA-N
MW132.16 g/mol
LogP1.05
Rot. Bonds2

About 2-(2-fluoroethyl)-1,3,4-thiadiazole

2-(2-fluoroethyl)-1,3,4-thiadiazole (PubChem CID 66881991) has the molecular formula C4H5FN2S and a molecular weight of 132.16 g/mol. Its IUPAC name is 2-(2-fluoroethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(2-fluoroethyl)-1,3,4-thiadiazole
PubChem CID66881991
Molecular FormulaC4H5FN2S
Molecular Weight132.16 g/mol
Exact Mass132.02
IUPAC Name2-(2-fluoroethyl)-1,3,4-thiadiazole
SMILESFCCc1nncs1
InChIInChI=1S/C4H5FN2S/c5-2-1-4-7-6-3-8-4/h3H,1-2H2
InChIKeyOMVYURPKWDZFGC-UHFFFAOYSA-N
XLogP1.05
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(2-fluoroethyl)-1,3,4-thiadiazole (CID 66881991) is 2-(2-fluoroethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(2-fluoroethyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(2-fluoroethyl)-1,3,4-thiadiazole is FCCc1nncs1.
What is the InChIKey of 2-(2-fluoroethyl)-1,3,4-thiadiazole?
The InChIKey is OMVYURPKWDZFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FN2S/c5-2-1-4-7-6-3-8-4/h3H,1-2H2.
What are the key properties of 2-(2-fluoroethyl)-1,3,4-thiadiazole?
2-(2-fluoroethyl)-1,3,4-thiadiazole has a molecular weight of 132.16 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 66881991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).