5-(chloromethyl)-3-(trifluoromethyl)-1,2,4-thiadiazole

C4H2ClF3N2S — CID 174963258

IUPAC5-(chloromethyl)-3-(trifluoromethyl)-1,2,4-thiadiazole
SMILESFC(F)(F)c1nsc(CCl)n1
InChIInChI=1S/C4H2ClF3N2S/c5-1-2-9-3(10-11-2)4(6,7)8/h1H2
InChIKeyFZMDZZCQIDZNGX-UHFFFAOYSA-N
MW202.59 g/mol
LogP2.30
Rot. Bonds1

About 5-(chloromethyl)-3-(trifluoromethyl)-1,2,4-thiadiazole

5-(chloromethyl)-3-(trifluoromethyl)-1,2,4-thiadiazole (PubChem CID 174963258) has the molecular formula C4H2ClF3N2S and a molecular weight of 202.59 g/mol. Its IUPAC name is 5-(chloromethyl)-3-(trifluoromethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(chloromethyl)-3-(trifluoromethyl)-1,2,4-thiadiazole
PubChem CID174963258
Molecular FormulaC4H2ClF3N2S
Molecular Weight202.59 g/mol
Exact Mass201.96
IUPAC Name5-(chloromethyl)-3-(trifluoromethyl)-1,2,4-thiadiazole
SMILESFC(F)(F)c1nsc(CCl)n1
InChIInChI=1S/C4H2ClF3N2S/c5-1-2-9-3(10-11-2)4(6,7)8/h1H2
InChIKeyFZMDZZCQIDZNGX-UHFFFAOYSA-N
XLogP2.30
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.59
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-3-(trifluoromethyl)-1,2,4-thiadiazole?
The IUPAC name of 5-(chloromethyl)-3-(trifluoromethyl)-1,2,4-thiadiazole (CID 174963258) is 5-(chloromethyl)-3-(trifluoromethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-(chloromethyl)-3-(trifluoromethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-(chloromethyl)-3-(trifluoromethyl)-1,2,4-thiadiazole is FC(F)(F)c1nsc(CCl)n1.
What is the InChIKey of 5-(chloromethyl)-3-(trifluoromethyl)-1,2,4-thiadiazole?
The InChIKey is FZMDZZCQIDZNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2ClF3N2S/c5-1-2-9-3(10-11-2)4(6,7)8/h1H2.
What are the key properties of 5-(chloromethyl)-3-(trifluoromethyl)-1,2,4-thiadiazole?
5-(chloromethyl)-3-(trifluoromethyl)-1,2,4-thiadiazole has a molecular weight of 202.59 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-3-(trifluoromethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 174963258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).