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

C5H7FN2S — CID 66881322

IUPAC2-(3-fluoropropyl)-1,3,4-thiadiazole
SMILESFCCCc1nncs1
InChIInChI=1S/C5H7FN2S/c6-3-1-2-5-8-7-4-9-5/h4H,1-3H2
InChIKeyKVDYKHKOUYFJSB-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.44
Rot. Bonds3

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

2-(3-fluoropropyl)-1,3,4-thiadiazole (PubChem CID 66881322) has the molecular formula C5H7FN2S and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-(3-fluoropropyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(3-fluoropropyl)-1,3,4-thiadiazole
PubChem CID66881322
Molecular FormulaC5H7FN2S
Molecular Weight146.19 g/mol
Exact Mass146.03
IUPAC Name2-(3-fluoropropyl)-1,3,4-thiadiazole
SMILESFCCCc1nncs1
InChIInChI=1S/C5H7FN2S/c6-3-1-2-5-8-7-4-9-5/h4H,1-3H2
InChIKeyKVDYKHKOUYFJSB-UHFFFAOYSA-N
XLogP1.44
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropropyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(3-fluoropropyl)-1,3,4-thiadiazole (CID 66881322) is 2-(3-fluoropropyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(3-fluoropropyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(3-fluoropropyl)-1,3,4-thiadiazole is FCCCc1nncs1.
What is the InChIKey of 2-(3-fluoropropyl)-1,3,4-thiadiazole?
The InChIKey is KVDYKHKOUYFJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN2S/c6-3-1-2-5-8-7-4-9-5/h4H,1-3H2.
What are the key properties of 2-(3-fluoropropyl)-1,3,4-thiadiazole?
2-(3-fluoropropyl)-1,3,4-thiadiazole has a molecular weight of 146.19 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropropyl)-1,3,4-thiadiazole is sourced from PubChem (CID 66881322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).