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

C5H6F2N2S — CID 155399868

IUPAC2-(difluoromethyl)-5-ethyl-1,3,4-thiadiazole
SMILESCCc1nnc(C(F)F)s1
InChIInChI=1S/C5H6F2N2S/c1-2-3-8-9-5(10-3)4(6)7/h4H,2H2,1H3
InChIKeyIUZJGYVBSBRDMD-UHFFFAOYSA-N
MW164.18 g/mol
LogP2.04
Rot. Bonds2

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

2-(difluoromethyl)-5-ethyl-1,3,4-thiadiazole (PubChem CID 155399868) has the molecular formula C5H6F2N2S and a molecular weight of 164.18 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-ethyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-ethyl-1,3,4-thiadiazole
PubChem CID155399868
Molecular FormulaC5H6F2N2S
Molecular Weight164.18 g/mol
Exact Mass164.02
IUPAC Name2-(difluoromethyl)-5-ethyl-1,3,4-thiadiazole
SMILESCCc1nnc(C(F)F)s1
InChIInChI=1S/C5H6F2N2S/c1-2-3-8-9-5(10-3)4(6)7/h4H,2H2,1H3
InChIKeyIUZJGYVBSBRDMD-UHFFFAOYSA-N
XLogP2.04
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-Diethyl-1,3,4-thiadiazole
CID 6451667
2-Bromo-5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole
CID 63383845
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-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 2-(difluoromethyl)-5-ethyl-1,3,4-thiadiazole?
The IUPAC name of 2-(difluoromethyl)-5-ethyl-1,3,4-thiadiazole (CID 155399868) is 2-(difluoromethyl)-5-ethyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-ethyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-ethyl-1,3,4-thiadiazole is CCc1nnc(C(F)F)s1.
What is the InChIKey of 2-(difluoromethyl)-5-ethyl-1,3,4-thiadiazole?
The InChIKey is IUZJGYVBSBRDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2N2S/c1-2-3-8-9-5(10-3)4(6)7/h4H,2H2,1H3.
What are the key properties of 2-(difluoromethyl)-5-ethyl-1,3,4-thiadiazole?
2-(difluoromethyl)-5-ethyl-1,3,4-thiadiazole has a molecular weight of 164.18 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-ethyl-1,3,4-thiadiazole is sourced from PubChem (CID 155399868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).