2-bromo-5-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,4-thiadiazole

C6H2BrF3N4S — CID 64624340

IUPAC2-bromo-5-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,4-thiadiazole
SMILESFC(F)(F)c1ccn(-c2nnc(Br)s2)n1
InChIInChI=1S/C6H2BrF3N4S/c7-4-11-12-5(15-4)14-2-1-3(13-14)6(8,9)10/h1-2H
InChIKeyGSUCRXQKSUPVQK-UHFFFAOYSA-N
MW299.08 g/mol
LogP2.51
Rot. Bonds1

About 2-bromo-5-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,4-thiadiazole

2-bromo-5-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,4-thiadiazole (PubChem CID 64624340) has the molecular formula C6H2BrF3N4S and a molecular weight of 299.08 g/mol. Its IUPAC name is 2-bromo-5-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-bromo-5-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,4-thiadiazole
PubChem CID64624340
Molecular FormulaC6H2BrF3N4S
Molecular Weight299.08 g/mol
Exact Mass297.91
IUPAC Name2-bromo-5-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,4-thiadiazole
SMILESFC(F)(F)c1ccn(-c2nnc(Br)s2)n1
InChIInChI=1S/C6H2BrF3N4S/c7-4-11-12-5(15-4)14-2-1-3(13-14)6(8,9)10/h1-2H
InChIKeyGSUCRXQKSUPVQK-UHFFFAOYSA-N
XLogP2.51
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.08
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-bromo-5-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,4-thiadiazole (CID 64624340) is 2-bromo-5-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-bromo-5-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-bromo-5-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,4-thiadiazole is FC(F)(F)c1ccn(-c2nnc(Br)s2)n1.
What is the InChIKey of 2-bromo-5-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,4-thiadiazole?
The InChIKey is GSUCRXQKSUPVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrF3N4S/c7-4-11-12-5(15-4)14-2-1-3(13-14)6(8,9)10/h1-2H.
What are the key properties of 2-bromo-5-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,4-thiadiazole?
2-bromo-5-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,4-thiadiazole has a molecular weight of 299.08 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 64624340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).