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

C4H5FN2S2 — CID 70369831

IUPAC2-(fluoromethyl)-5-methylsulfanyl-1,3,4-thiadiazole
SMILESCSc1nnc(CF)s1
InChIInChI=1S/C4H5FN2S2/c1-8-4-7-6-3(2-5)9-4/h2H2,1H3
InChIKeyNONBSXRZFVGAAU-UHFFFAOYSA-N
MW164.23 g/mol
LogP1.73
Rot. Bonds2

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

2-(fluoromethyl)-5-methylsulfanyl-1,3,4-thiadiazole (PubChem CID 70369831) has the molecular formula C4H5FN2S2 and a molecular weight of 164.23 g/mol. Its IUPAC name is 2-(fluoromethyl)-5-methylsulfanyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(fluoromethyl)-5-methylsulfanyl-1,3,4-thiadiazole
PubChem CID70369831
Molecular FormulaC4H5FN2S2
Molecular Weight164.23 g/mol
Exact Mass163.99
IUPAC Name2-(fluoromethyl)-5-methylsulfanyl-1,3,4-thiadiazole
SMILESCSc1nnc(CF)s1
InChIInChI=1S/C4H5FN2S2/c1-8-4-7-6-3(2-5)9-4/h2H2,1H3
InChIKeyNONBSXRZFVGAAU-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-5-methylsulfanyl-1,3,4-thiadiazole?
The IUPAC name of 2-(fluoromethyl)-5-methylsulfanyl-1,3,4-thiadiazole (CID 70369831) is 2-(fluoromethyl)-5-methylsulfanyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(fluoromethyl)-5-methylsulfanyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(fluoromethyl)-5-methylsulfanyl-1,3,4-thiadiazole is CSc1nnc(CF)s1.
What is the InChIKey of 2-(fluoromethyl)-5-methylsulfanyl-1,3,4-thiadiazole?
The InChIKey is NONBSXRZFVGAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FN2S2/c1-8-4-7-6-3(2-5)9-4/h2H2,1H3.
What are the key properties of 2-(fluoromethyl)-5-methylsulfanyl-1,3,4-thiadiazole?
2-(fluoromethyl)-5-methylsulfanyl-1,3,4-thiadiazole has a molecular weight of 164.23 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-5-methylsulfanyl-1,3,4-thiadiazole is sourced from PubChem (CID 70369831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).