2-[1-(trifluoromethyl)cyclopropyl]-1,3,4-thiadiazole

C6H5F3N2S — CID 91560384

IUPAC2-[1-(trifluoromethyl)cyclopropyl]-1,3,4-thiadiazole
SMILESFC(F)(F)C1(c2nncs2)CC1
InChIInChI=1S/C6H5F3N2S/c7-6(8,9)5(1-2-5)4-11-10-3-12-4/h3H,1-2H2
InChIKeyPBNYATCRKIBGAU-UHFFFAOYSA-N
MW194.18 g/mol
LogP2.13
Rot. Bonds1

About 2-[1-(trifluoromethyl)cyclopropyl]-1,3,4-thiadiazole

2-[1-(trifluoromethyl)cyclopropyl]-1,3,4-thiadiazole (PubChem CID 91560384) has the molecular formula C6H5F3N2S and a molecular weight of 194.18 g/mol. Its IUPAC name is 2-[1-(trifluoromethyl)cyclopropyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[1-(trifluoromethyl)cyclopropyl]-1,3,4-thiadiazole
PubChem CID91560384
Molecular FormulaC6H5F3N2S
Molecular Weight194.18 g/mol
Exact Mass194.01
IUPAC Name2-[1-(trifluoromethyl)cyclopropyl]-1,3,4-thiadiazole
SMILESFC(F)(F)C1(c2nncs2)CC1
InChIInChI=1S/C6H5F3N2S/c7-6(8,9)5(1-2-5)4-11-10-3-12-4/h3H,1-2H2
InChIKeyPBNYATCRKIBGAU-UHFFFAOYSA-N
XLogP2.13
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(Trifluoromethyl)cyclobutyl]-1,3,4-thiadiazole
CID 90971410
2-(1-Fluorocyclopropyl)-1,3,4-thiadiazole
CID 153457648
2-(1-Methylcyclopropyl)-1,3,4-thiadiazole
CID 69090564

Frequently Asked Questions

What is the IUPAC name of 2-[1-(trifluoromethyl)cyclopropyl]-1,3,4-thiadiazole?
The IUPAC name of 2-[1-(trifluoromethyl)cyclopropyl]-1,3,4-thiadiazole (CID 91560384) is 2-[1-(trifluoromethyl)cyclopropyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-[1-(trifluoromethyl)cyclopropyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-[1-(trifluoromethyl)cyclopropyl]-1,3,4-thiadiazole is FC(F)(F)C1(c2nncs2)CC1.
What is the InChIKey of 2-[1-(trifluoromethyl)cyclopropyl]-1,3,4-thiadiazole?
The InChIKey is PBNYATCRKIBGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2S/c7-6(8,9)5(1-2-5)4-11-10-3-12-4/h3H,1-2H2.
What are the key properties of 2-[1-(trifluoromethyl)cyclopropyl]-1,3,4-thiadiazole?
2-[1-(trifluoromethyl)cyclopropyl]-1,3,4-thiadiazole has a molecular weight of 194.18 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(trifluoromethyl)cyclopropyl]-1,3,4-thiadiazole is sourced from PubChem (CID 91560384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).