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

C6H7F3N2S — CID 20605525

IUPAC2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESCC(C)c1nnc(C(F)(F)F)s1
InChIInChI=1S/C6H7F3N2S/c1-3(2)4-10-11-5(12-4)6(7,8)9/h3H,1-2H3
InChIKeyLONFGLKCTPTOKA-UHFFFAOYSA-N
MW196.20 g/mol
LogP2.68
Rot. Bonds1

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

2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole (PubChem CID 20605525) has the molecular formula C6H7F3N2S and a molecular weight of 196.20 g/mol. Its IUPAC name is 2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
PubChem CID20605525
Molecular FormulaC6H7F3N2S
Molecular Weight196.20 g/mol
Exact Mass196.03
IUPAC Name2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESCC(C)c1nnc(C(F)(F)F)s1
InChIInChI=1S/C6H7F3N2S/c1-3(2)4-10-11-5(12-4)6(7,8)9/h3H,1-2H3
InChIKeyLONFGLKCTPTOKA-UHFFFAOYSA-N
XLogP2.68
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-Diisopropyl-1,3,4-thiadiazole
CID 6451666
2-(Chloromethyl)-5-(1,1-difluoroethyl)-1,3,4-thiadiazole
CID 130635213
2-Methyl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 19426259
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-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-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole?
The IUPAC name of 2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole (CID 20605525) is 2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole is CC(C)c1nnc(C(F)(F)F)s1.
What is the InChIKey of 2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole?
The InChIKey is LONFGLKCTPTOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2S/c1-3(2)4-10-11-5(12-4)6(7,8)9/h3H,1-2H3.
What are the key properties of 2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole?
2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole has a molecular weight of 196.20 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 20605525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).