4-(fluoromethyl)-5-methylthiadiazole

C4H5FN2S — CID 141237826

IUPAC4-(fluoromethyl)-5-methylthiadiazole
SMILESCc1snnc1CF
InChIInChI=1S/C4H5FN2S/c1-3-4(2-5)6-7-8-3/h2H2,1H3
InChIKeyLQTVHSKWXNJBPA-UHFFFAOYSA-N
MW132.16 g/mol
LogP1.32
Rot. Bonds1

About 4-(fluoromethyl)-5-methylthiadiazole

4-(fluoromethyl)-5-methylthiadiazole (PubChem CID 141237826) has the molecular formula C4H5FN2S and a molecular weight of 132.16 g/mol. Its IUPAC name is 4-(fluoromethyl)-5-methylthiadiazole.

Molecular Properties

Compound Name4-(fluoromethyl)-5-methylthiadiazole
PubChem CID141237826
Molecular FormulaC4H5FN2S
Molecular Weight132.16 g/mol
Exact Mass132.02
IUPAC Name4-(fluoromethyl)-5-methylthiadiazole
SMILESCc1snnc1CF
InChIInChI=1S/C4H5FN2S/c1-3-4(2-5)6-7-8-3/h2H2,1H3
InChIKeyLQTVHSKWXNJBPA-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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Related Compounds

4-Methyl-1,2,3-thiadiazole-5-carbonitrile
CID 15906629
5-Fluoro-4-methylthiadiazole
CID 85680413
Bis(trifluoromethyl)thiadiazole
CID 129663715
4,5-Dimethyl-1,2,3-thiadiazole
CID 12913686
2,5-Dimethyl-4-(trifluoromethyl)thiadiazol-2-ium
CID 22980775
4-(Difluoromethyl)-5-methylthiadiazole
CID 68023077
5-(Fluoromethyl)-4-(trifluoromethyl)thiadiazole
CID 141237793
4-Ethyl-5-(fluoromethyl)thiadiazole
CID 141237802
5-(Fluoromethyl)-4-methylthiadiazole
CID 141237810
5-(Iodomethyl)-4-(trifluoromethyl)thiadiazole
CID 141237815
4-(Fluoromethyl)-5-(trifluoromethyl)thiadiazole
CID 141237825
4-(Iodomethyl)-5-(trifluoromethyl)thiadiazole
CID 141237831

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-5-methylthiadiazole?
The IUPAC name of 4-(fluoromethyl)-5-methylthiadiazole (CID 141237826) is 4-(fluoromethyl)-5-methylthiadiazole.
What is the SMILES notation for 4-(fluoromethyl)-5-methylthiadiazole?
The canonical SMILES for 4-(fluoromethyl)-5-methylthiadiazole is Cc1snnc1CF.
What is the InChIKey of 4-(fluoromethyl)-5-methylthiadiazole?
The InChIKey is LQTVHSKWXNJBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FN2S/c1-3-4(2-5)6-7-8-3/h2H2,1H3.
What are the key properties of 4-(fluoromethyl)-5-methylthiadiazole?
4-(fluoromethyl)-5-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 4-(fluoromethyl)-5-methylthiadiazole is sourced from PubChem (CID 141237826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).