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

C6H2BrF3N4S — CID 130727923

IUPAC2-(3-bromopyrazol-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESFC(F)(F)c1nnc(-n2ccc(Br)n2)s1
InChIInChI=1S/C6H2BrF3N4S/c7-3-1-2-14(13-3)5-12-11-4(15-5)6(8,9)10/h1-2H
InChIKeyXTOSWUNYBICXBI-UHFFFAOYSA-N
MW299.08 g/mol
LogP2.51
Rot. Bonds1

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

2-(3-bromopyrazol-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole (PubChem CID 130727923) has the molecular formula C6H2BrF3N4S and a molecular weight of 299.08 g/mol. Its IUPAC name is 2-(3-bromopyrazol-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(3-bromopyrazol-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole
PubChem CID130727923
Molecular FormulaC6H2BrF3N4S
Molecular Weight299.08 g/mol
Exact Mass297.91
IUPAC Name2-(3-bromopyrazol-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESFC(F)(F)c1nnc(-n2ccc(Br)n2)s1
InChIInChI=1S/C6H2BrF3N4S/c7-3-1-2-14(13-3)5-12-11-4(15-5)6(8,9)10/h1-2H
InChIKeyXTOSWUNYBICXBI-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-(3-bromopyrazol-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(3-bromopyrazol-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole (CID 130727923) is 2-(3-bromopyrazol-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(3-bromopyrazol-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(3-bromopyrazol-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole is FC(F)(F)c1nnc(-n2ccc(Br)n2)s1.
What is the InChIKey of 2-(3-bromopyrazol-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole?
The InChIKey is XTOSWUNYBICXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrF3N4S/c7-3-1-2-14(13-3)5-12-11-4(15-5)6(8,9)10/h1-2H.
What are the key properties of 2-(3-bromopyrazol-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole?
2-(3-bromopyrazol-1-yl)-5-(trifluoromethyl)-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-(3-bromopyrazol-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 130727923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).