5-(fluoromethyl)-4-methylthiadiazole

C4H5FN2S — CID 141237810

IUPAC5-(fluoromethyl)-4-methylthiadiazole
SMILESCc1nnsc1CF
InChIInChI=1S/C4H5FN2S/c1-3-4(2-5)8-7-6-3/h2H2,1H3
InChIKeySVYXDHFSKRFTPE-UHFFFAOYSA-N
MW132.16 g/mol
LogP1.32
Rot. Bonds1

About 5-(fluoromethyl)-4-methylthiadiazole

5-(fluoromethyl)-4-methylthiadiazole (PubChem CID 141237810) has the molecular formula C4H5FN2S and a molecular weight of 132.16 g/mol. Its IUPAC name is 5-(fluoromethyl)-4-methylthiadiazole.

Molecular Properties

Compound Name5-(fluoromethyl)-4-methylthiadiazole
PubChem CID141237810
Molecular FormulaC4H5FN2S
Molecular Weight132.16 g/mol
Exact Mass132.02
IUPAC Name5-(fluoromethyl)-4-methylthiadiazole
SMILESCc1nnsc1CF
InChIInChI=1S/C4H5FN2S/c1-3-4(2-5)8-7-6-3/h2H2,1H3
InChIKeySVYXDHFSKRFTPE-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 5-(fluoromethyl)-4-methylthiadiazole?
The IUPAC name of 5-(fluoromethyl)-4-methylthiadiazole (CID 141237810) is 5-(fluoromethyl)-4-methylthiadiazole.
What is the SMILES notation for 5-(fluoromethyl)-4-methylthiadiazole?
The canonical SMILES for 5-(fluoromethyl)-4-methylthiadiazole is Cc1nnsc1CF.
What is the InChIKey of 5-(fluoromethyl)-4-methylthiadiazole?
The InChIKey is SVYXDHFSKRFTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FN2S/c1-3-4(2-5)8-7-6-3/h2H2,1H3.
What are the key properties of 5-(fluoromethyl)-4-methylthiadiazole?
5-(fluoromethyl)-4-methylthiadiazole 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 5-(fluoromethyl)-4-methylthiadiazole is sourced from PubChem (CID 141237810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).