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

C7H11F3N2S — CID 159298743

IUPACethane;2-ethyl-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESCC.CCc1nnc(C(F)(F)F)s1
InChIInChI=1S/C5H5F3N2S.C2H6/c1-2-3-9-10-4(11-3)5(6,7)8;1-2/h2H2,1H3;1-2H3
InChIKeyLBBDQHVIHNBZEQ-UHFFFAOYSA-N
MW212.24 g/mol
LogP3.15
Rot. Bonds1

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

ethane;2-ethyl-5-(trifluoromethyl)-1,3,4-thiadiazole (PubChem CID 159298743) has the molecular formula C7H11F3N2S and a molecular weight of 212.24 g/mol. Its IUPAC name is ethane;2-ethyl-5-(trifluoromethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Nameethane;2-ethyl-5-(trifluoromethyl)-1,3,4-thiadiazole
PubChem CID159298743
Molecular FormulaC7H11F3N2S
Molecular Weight212.24 g/mol
Exact Mass212.06
IUPAC Nameethane;2-ethyl-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESCC.CCc1nnc(C(F)(F)F)s1
InChIInChI=1S/C5H5F3N2S.C2H6/c1-2-3-9-10-4(11-3)5(6,7)8;1-2/h2H2,1H3;1-2H3
InChIKeyLBBDQHVIHNBZEQ-UHFFFAOYSA-N
XLogP3.15
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-Diethyl-1,3,4-thiadiazole
CID 6451667
2-(Chloromethyl)-5-(1,1-difluoroethyl)-1,3,4-thiadiazole
CID 130635213
2-Methyl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 19426259
2-Propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 20605525
2-(Difluoromethyl)-5-methyl-1,3,4-thiadiazole
CID 59049205
2-Fluoro-5-propan-2-yl-1,3,4-thiadiazole
CID 59664270
2-Tert-butyl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 59734410
2-Ethyl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 59964275
Azane;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 69158828
2-Pentan-3-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 70672393
2-Methyl-5-[1-[2-(trifluoromethylsulfanyl)ethylsulfanyl]ethyl]-1,3,4-thiadiazole
CID 71004644
2-(Trifluoromethyl)-5-[1-[2-(trifluoromethylsulfanyl)ethylsulfanyl]ethyl]-1,3,4-thiadiazole
CID 87289392

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-5-(trifluoromethyl)-1,3,4-thiadiazole?
The IUPAC name of ethane;2-ethyl-5-(trifluoromethyl)-1,3,4-thiadiazole (CID 159298743) is ethane;2-ethyl-5-(trifluoromethyl)-1,3,4-thiadiazole.
What is the SMILES notation for ethane;2-ethyl-5-(trifluoromethyl)-1,3,4-thiadiazole?
The canonical SMILES for ethane;2-ethyl-5-(trifluoromethyl)-1,3,4-thiadiazole is CC.CCc1nnc(C(F)(F)F)s1.
What is the InChIKey of ethane;2-ethyl-5-(trifluoromethyl)-1,3,4-thiadiazole?
The InChIKey is LBBDQHVIHNBZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2S.C2H6/c1-2-3-9-10-4(11-3)5(6,7)8;1-2/h2H2,1H3;1-2H3.
What are the key properties of ethane;2-ethyl-5-(trifluoromethyl)-1,3,4-thiadiazole?
ethane;2-ethyl-5-(trifluoromethyl)-1,3,4-thiadiazole has a molecular weight of 212.24 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-5-(trifluoromethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 159298743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).