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

C4H5FN2S2 — CID 11829773

IUPAC2-(fluoromethylsulfanyl)-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(SCF)s1
InChIInChI=1S/C4H5FN2S2/c1-3-6-7-4(9-3)8-2-5/h2H2,1H3
InChIKeyLNSDTKFPSNCUNG-UHFFFAOYSA-N
MW164.23 g/mol
LogP1.87
Rot. Bonds2

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

2-(fluoromethylsulfanyl)-5-methyl-1,3,4-thiadiazole (PubChem CID 11829773) has the molecular formula C4H5FN2S2 and a molecular weight of 164.23 g/mol. Its IUPAC name is 2-(fluoromethylsulfanyl)-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(fluoromethylsulfanyl)-5-methyl-1,3,4-thiadiazole
PubChem CID11829773
Molecular FormulaC4H5FN2S2
Molecular Weight164.23 g/mol
Exact Mass163.99
IUPAC Name2-(fluoromethylsulfanyl)-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(SCF)s1
InChIInChI=1S/C4H5FN2S2/c1-3-6-7-4(9-3)8-2-5/h2H2,1H3
InChIKeyLNSDTKFPSNCUNG-UHFFFAOYSA-N
XLogP1.87
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethylsulfanyl)-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-(fluoromethylsulfanyl)-5-methyl-1,3,4-thiadiazole (CID 11829773) is 2-(fluoromethylsulfanyl)-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(fluoromethylsulfanyl)-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(fluoromethylsulfanyl)-5-methyl-1,3,4-thiadiazole is Cc1nnc(SCF)s1.
What is the InChIKey of 2-(fluoromethylsulfanyl)-5-methyl-1,3,4-thiadiazole?
The InChIKey is LNSDTKFPSNCUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FN2S2/c1-3-6-7-4(9-3)8-2-5/h2H2,1H3.
What are the key properties of 2-(fluoromethylsulfanyl)-5-methyl-1,3,4-thiadiazole?
2-(fluoromethylsulfanyl)-5-methyl-1,3,4-thiadiazole has a molecular weight of 164.23 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethylsulfanyl)-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 11829773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).