2-(difluoromethyl)-5-propan-2-yl-1,3,4-thiadiazole

C6H8F2N2S — CID 166087951

IUPAC2-(difluoromethyl)-5-propan-2-yl-1,3,4-thiadiazole
SMILESCC(C)c1nnc(C(F)F)s1
InChIInChI=1S/C6H8F2N2S/c1-3(2)5-9-10-6(11-5)4(7)8/h3-4H,1-2H3
InChIKeyWODZQGLBDADSIX-UHFFFAOYSA-N
MW178.21 g/mol
LogP2.60
Rot. Bonds2

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

2-(difluoromethyl)-5-propan-2-yl-1,3,4-thiadiazole (PubChem CID 166087951) has the molecular formula C6H8F2N2S and a molecular weight of 178.21 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-propan-2-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-propan-2-yl-1,3,4-thiadiazole
PubChem CID166087951
Molecular FormulaC6H8F2N2S
Molecular Weight178.21 g/mol
Exact Mass178.04
IUPAC Name2-(difluoromethyl)-5-propan-2-yl-1,3,4-thiadiazole
SMILESCC(C)c1nnc(C(F)F)s1
InChIInChI=1S/C6H8F2N2S/c1-3(2)5-9-10-6(11-5)4(7)8/h3-4H,1-2H3
InChIKeyWODZQGLBDADSIX-UHFFFAOYSA-N
XLogP2.60
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-Diisopropyl-1,3,4-thiadiazole
CID 6451666
2,5-Diethyl-1,3,4-thiadiazole
CID 6451667
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
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
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

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-propan-2-yl-1,3,4-thiadiazole?
The IUPAC name of 2-(difluoromethyl)-5-propan-2-yl-1,3,4-thiadiazole (CID 166087951) is 2-(difluoromethyl)-5-propan-2-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-propan-2-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-propan-2-yl-1,3,4-thiadiazole is CC(C)c1nnc(C(F)F)s1.
What is the InChIKey of 2-(difluoromethyl)-5-propan-2-yl-1,3,4-thiadiazole?
The InChIKey is WODZQGLBDADSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2S/c1-3(2)5-9-10-6(11-5)4(7)8/h3-4H,1-2H3.
What are the key properties of 2-(difluoromethyl)-5-propan-2-yl-1,3,4-thiadiazole?
2-(difluoromethyl)-5-propan-2-yl-1,3,4-thiadiazole has a molecular weight of 178.21 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-propan-2-yl-1,3,4-thiadiazole is sourced from PubChem (CID 166087951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).