2-ethyl-5-(fluoromethyl)-1,3,4-thiadiazole

C5H7FN2S — CID 89030372

IUPAC2-ethyl-5-(fluoromethyl)-1,3,4-thiadiazole
SMILESCCc1nnc(CF)s1
InChIInChI=1S/C5H7FN2S/c1-2-4-7-8-5(3-6)9-4/h2-3H2,1H3
InChIKeyYRJNEHKCPFREMF-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.57
Rot. Bonds2

About 2-ethyl-5-(fluoromethyl)-1,3,4-thiadiazole

2-ethyl-5-(fluoromethyl)-1,3,4-thiadiazole (PubChem CID 89030372) has the molecular formula C5H7FN2S and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-ethyl-5-(fluoromethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-ethyl-5-(fluoromethyl)-1,3,4-thiadiazole
PubChem CID89030372
Molecular FormulaC5H7FN2S
Molecular Weight146.19 g/mol
Exact Mass146.03
IUPAC Name2-ethyl-5-(fluoromethyl)-1,3,4-thiadiazole
SMILESCCc1nnc(CF)s1
InChIInChI=1S/C5H7FN2S/c1-2-4-7-8-5(3-6)9-4/h2-3H2,1H3
InChIKeyYRJNEHKCPFREMF-UHFFFAOYSA-N
XLogP1.57
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(fluoromethyl)-1,3,4-thiadiazole?
The IUPAC name of 2-ethyl-5-(fluoromethyl)-1,3,4-thiadiazole (CID 89030372) is 2-ethyl-5-(fluoromethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-ethyl-5-(fluoromethyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-ethyl-5-(fluoromethyl)-1,3,4-thiadiazole is CCc1nnc(CF)s1.
What is the InChIKey of 2-ethyl-5-(fluoromethyl)-1,3,4-thiadiazole?
The InChIKey is YRJNEHKCPFREMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN2S/c1-2-4-7-8-5(3-6)9-4/h2-3H2,1H3.
What are the key properties of 2-ethyl-5-(fluoromethyl)-1,3,4-thiadiazole?
2-ethyl-5-(fluoromethyl)-1,3,4-thiadiazole has a molecular weight of 146.19 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(fluoromethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 89030372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).