2-tert-butyl-5-(difluoromethyl)-1,3,4-thiadiazole

C7H10F2N2S — CID 169031958

IUPAC2-tert-butyl-5-(difluoromethyl)-1,3,4-thiadiazole
SMILESCC(C)(C)c1nnc(C(F)F)s1
InChIInChI=1S/C7H10F2N2S/c1-7(2,3)6-11-10-5(12-6)4(8)9/h4H,1-3H3
InChIKeyXEGJWCKRCBFTSB-UHFFFAOYSA-N
MW192.23 g/mol
LogP2.77
Rot. Bonds1

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

2-tert-butyl-5-(difluoromethyl)-1,3,4-thiadiazole (PubChem CID 169031958) has the molecular formula C7H10F2N2S and a molecular weight of 192.23 g/mol. Its IUPAC name is 2-tert-butyl-5-(difluoromethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-tert-butyl-5-(difluoromethyl)-1,3,4-thiadiazole
PubChem CID169031958
Molecular FormulaC7H10F2N2S
Molecular Weight192.23 g/mol
Exact Mass192.05
IUPAC Name2-tert-butyl-5-(difluoromethyl)-1,3,4-thiadiazole
SMILESCC(C)(C)c1nnc(C(F)F)s1
InChIInChI=1S/C7H10F2N2S/c1-7(2,3)6-11-10-5(12-6)4(8)9/h4H,1-3H3
InChIKeyXEGJWCKRCBFTSB-UHFFFAOYSA-N
XLogP2.77
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
2-(1,1-Difluoroethyl)-5-methyl-1,3,4-thiadiazole
CID 89890720

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(difluoromethyl)-1,3,4-thiadiazole?
The IUPAC name of 2-tert-butyl-5-(difluoromethyl)-1,3,4-thiadiazole (CID 169031958) is 2-tert-butyl-5-(difluoromethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-tert-butyl-5-(difluoromethyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-tert-butyl-5-(difluoromethyl)-1,3,4-thiadiazole is CC(C)(C)c1nnc(C(F)F)s1.
What is the InChIKey of 2-tert-butyl-5-(difluoromethyl)-1,3,4-thiadiazole?
The InChIKey is XEGJWCKRCBFTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2S/c1-7(2,3)6-11-10-5(12-6)4(8)9/h4H,1-3H3.
What are the key properties of 2-tert-butyl-5-(difluoromethyl)-1,3,4-thiadiazole?
2-tert-butyl-5-(difluoromethyl)-1,3,4-thiadiazole has a molecular weight of 192.23 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(difluoromethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 169031958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).