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

C8H13F3N2S — CID 176993574

IUPACethane;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESCC.CC(C)c1nnc(C(F)(F)F)s1
InChIInChI=1S/C6H7F3N2S.C2H6/c1-3(2)4-10-11-5(12-4)6(7,8)9;1-2/h3H,1-2H3;1-2H3
InChIKeyFKMZLJXUHHANIH-UHFFFAOYSA-N
MW226.27 g/mol
LogP3.71
Rot. Bonds1

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

ethane;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole (PubChem CID 176993574) has the molecular formula C8H13F3N2S and a molecular weight of 226.27 g/mol. Its IUPAC name is ethane;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Nameethane;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
PubChem CID176993574
Molecular FormulaC8H13F3N2S
Molecular Weight226.27 g/mol
Exact Mass226.08
IUPAC Nameethane;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESCC.CC(C)c1nnc(C(F)(F)F)s1
InChIInChI=1S/C6H7F3N2S.C2H6/c1-3(2)4-10-11-5(12-4)6(7,8)9;1-2/h3H,1-2H3;1-2H3
InChIKeyFKMZLJXUHHANIH-UHFFFAOYSA-N
XLogP3.71
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-Diisopropyl-1,3,4-thiadiazole
CID 6451666
2-Propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 20605525
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
2-Pentan-3-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 70672393
2-(5-Methyl-1,3,4-thiadiazol-2-yl)-2-[2-(trifluoromethylsulfanyl)ethylsulfanyl]propanenitrile
CID 71004630
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
2-Ethyl-5-(fluoromethyl)-1,3,4-thiadiazole
CID 89030372
2-Methyl-5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-thiadiazole
CID 89178708
2-(1,1-Difluoroethyl)-5-methyl-1,3,4-thiadiazole
CID 89890720

Frequently Asked Questions

What is the IUPAC name of ethane;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole?
The IUPAC name of ethane;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole (CID 176993574) is ethane;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole.
What is the SMILES notation for ethane;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole?
The canonical SMILES for ethane;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole is CC.CC(C)c1nnc(C(F)(F)F)s1.
What is the InChIKey of ethane;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole?
The InChIKey is FKMZLJXUHHANIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2S.C2H6/c1-3(2)4-10-11-5(12-4)6(7,8)9;1-2/h3H,1-2H3;1-2H3.
What are the key properties of ethane;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole?
ethane;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole has a molecular weight of 226.27 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 176993574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).