3-fluoro-5-methyl-1,2,4-thiadiazole

C3H3FN2S — CID 59049200

IUPAC3-fluoro-5-methyl-1,2,4-thiadiazole
SMILESCc1nc(F)ns1
InChIInChI=1S/C3H3FN2S/c1-2-5-3(4)6-7-2/h1H3
InChIKeyMSJAVBSGNULALY-UHFFFAOYSA-N
MW118.14 g/mol
LogP0.99
Rot. Bonds

About 3-fluoro-5-methyl-1,2,4-thiadiazole

3-fluoro-5-methyl-1,2,4-thiadiazole (PubChem CID 59049200) has the molecular formula C3H3FN2S and a molecular weight of 118.14 g/mol. Its IUPAC name is 3-fluoro-5-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-fluoro-5-methyl-1,2,4-thiadiazole
PubChem CID59049200
Molecular FormulaC3H3FN2S
Molecular Weight118.14 g/mol
Exact Mass118.00
IUPAC Name3-fluoro-5-methyl-1,2,4-thiadiazole
SMILESCc1nc(F)ns1
InChIInChI=1S/C3H3FN2S/c1-2-5-3(4)6-7-2/h1H3
InChIKeyMSJAVBSGNULALY-UHFFFAOYSA-N
XLogP0.99
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.14
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methyl-1,2,4-thiadiazole?
The IUPAC name of 3-fluoro-5-methyl-1,2,4-thiadiazole (CID 59049200) is 3-fluoro-5-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 3-fluoro-5-methyl-1,2,4-thiadiazole?
The canonical SMILES for 3-fluoro-5-methyl-1,2,4-thiadiazole is Cc1nc(F)ns1.
What is the InChIKey of 3-fluoro-5-methyl-1,2,4-thiadiazole?
The InChIKey is MSJAVBSGNULALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3FN2S/c1-2-5-3(4)6-7-2/h1H3.
What are the key properties of 3-fluoro-5-methyl-1,2,4-thiadiazole?
3-fluoro-5-methyl-1,2,4-thiadiazole has a molecular weight of 118.14 g/mol, XLogP of 0.99, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 59049200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).