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

C4H5FN2S — CID 89222789

IUPAC2-(fluoromethyl)-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(CF)s1
InChIInChI=1S/C4H5FN2S/c1-3-6-7-4(2-5)8-3/h2H2,1H3
InChIKeyNUZXXYWWTQLITK-UHFFFAOYSA-N
MW132.16 g/mol
LogP1.32
Rot. Bonds1

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

2-(fluoromethyl)-5-methyl-1,3,4-thiadiazole (PubChem CID 89222789) has the molecular formula C4H5FN2S and a molecular weight of 132.16 g/mol. Its IUPAC name is 2-(fluoromethyl)-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(fluoromethyl)-5-methyl-1,3,4-thiadiazole
PubChem CID89222789
Molecular FormulaC4H5FN2S
Molecular Weight132.16 g/mol
Exact Mass132.02
IUPAC Name2-(fluoromethyl)-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(CF)s1
InChIInChI=1S/C4H5FN2S/c1-3-6-7-4(2-5)8-3/h2H2,1H3
InChIKeyNUZXXYWWTQLITK-UHFFFAOYSA-N
XLogP1.32
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 ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-(fluoromethyl)-5-methyl-1,3,4-thiadiazole (CID 89222789) is 2-(fluoromethyl)-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(fluoromethyl)-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(fluoromethyl)-5-methyl-1,3,4-thiadiazole is Cc1nnc(CF)s1.
What is the InChIKey of 2-(fluoromethyl)-5-methyl-1,3,4-thiadiazole?
The InChIKey is NUZXXYWWTQLITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FN2S/c1-3-6-7-4(2-5)8-3/h2H2,1H3.
What are the key properties of 2-(fluoromethyl)-5-methyl-1,3,4-thiadiazole?
2-(fluoromethyl)-5-methyl-1,3,4-thiadiazole has a molecular weight of 132.16 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 89222789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).