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

C5H5F3N2S — CID 59964275

IUPAC2-ethyl-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESCCc1nnc(C(F)(F)F)s1
InChIInChI=1S/C5H5F3N2S/c1-2-3-9-10-4(11-3)5(6,7)8/h2H2,1H3
InChIKeyUFSAHJAFXSJPDB-UHFFFAOYSA-N
MW182.17 g/mol
LogP2.12
Rot. Bonds1

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

2-ethyl-5-(trifluoromethyl)-1,3,4-thiadiazole (PubChem CID 59964275) has the molecular formula C5H5F3N2S and a molecular weight of 182.17 g/mol. Its IUPAC name is 2-ethyl-5-(trifluoromethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-ethyl-5-(trifluoromethyl)-1,3,4-thiadiazole
PubChem CID59964275
Molecular FormulaC5H5F3N2S
Molecular Weight182.17 g/mol
Exact Mass182.01
IUPAC Name2-ethyl-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESCCc1nnc(C(F)(F)F)s1
InChIInChI=1S/C5H5F3N2S/c1-2-3-9-10-4(11-3)5(6,7)8/h2H2,1H3
InChIKeyUFSAHJAFXSJPDB-UHFFFAOYSA-N
XLogP2.12
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(trifluoromethyl)-1,3,4-thiadiazole?
The IUPAC name of 2-ethyl-5-(trifluoromethyl)-1,3,4-thiadiazole (CID 59964275) is 2-ethyl-5-(trifluoromethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-ethyl-5-(trifluoromethyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-ethyl-5-(trifluoromethyl)-1,3,4-thiadiazole is CCc1nnc(C(F)(F)F)s1.
What is the InChIKey of 2-ethyl-5-(trifluoromethyl)-1,3,4-thiadiazole?
The InChIKey is UFSAHJAFXSJPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2S/c1-2-3-9-10-4(11-3)5(6,7)8/h2H2,1H3.
What are the key properties of 2-ethyl-5-(trifluoromethyl)-1,3,4-thiadiazole?
2-ethyl-5-(trifluoromethyl)-1,3,4-thiadiazole has a molecular weight of 182.17 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(trifluoromethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 59964275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).