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

C6H3BrF2N4S — CID 130563586

IUPAC2-(4-bromopyrazol-1-yl)-5-(difluoromethyl)-1,3,4-thiadiazole
SMILESFC(F)c1nnc(-n2cc(Br)cn2)s1
InChIInChI=1S/C6H3BrF2N4S/c7-3-1-10-13(2-3)6-12-11-5(14-6)4(8)9/h1-2,4H
InChIKeyPVTKKPYCXZWITJ-UHFFFAOYSA-N
MW281.08 g/mol
LogP2.42
Rot. Bonds2

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

2-(4-bromopyrazol-1-yl)-5-(difluoromethyl)-1,3,4-thiadiazole (PubChem CID 130563586) has the molecular formula C6H3BrF2N4S and a molecular weight of 281.08 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-5-(difluoromethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-5-(difluoromethyl)-1,3,4-thiadiazole
PubChem CID130563586
Molecular FormulaC6H3BrF2N4S
Molecular Weight281.08 g/mol
Exact Mass279.92
IUPAC Name2-(4-bromopyrazol-1-yl)-5-(difluoromethyl)-1,3,4-thiadiazole
SMILESFC(F)c1nnc(-n2cc(Br)cn2)s1
InChIInChI=1S/C6H3BrF2N4S/c7-3-1-10-13(2-3)6-12-11-5(14-6)4(8)9/h1-2,4H
InChIKeyPVTKKPYCXZWITJ-UHFFFAOYSA-N
XLogP2.42
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.08
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-5-(difluoromethyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-5-(difluoromethyl)-1,3,4-thiadiazole (CID 130563586) is 2-(4-bromopyrazol-1-yl)-5-(difluoromethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-5-(difluoromethyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-5-(difluoromethyl)-1,3,4-thiadiazole is FC(F)c1nnc(-n2cc(Br)cn2)s1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-5-(difluoromethyl)-1,3,4-thiadiazole?
The InChIKey is PVTKKPYCXZWITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrF2N4S/c7-3-1-10-13(2-3)6-12-11-5(14-6)4(8)9/h1-2,4H.
What are the key properties of 2-(4-bromopyrazol-1-yl)-5-(difluoromethyl)-1,3,4-thiadiazole?
2-(4-bromopyrazol-1-yl)-5-(difluoromethyl)-1,3,4-thiadiazole has a molecular weight of 281.08 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-5-(difluoromethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 130563586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).