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

C6H3BrF2N4S — CID 131067843

IUPAC2-(3-bromopyrazol-1-yl)-5-(difluoromethyl)-1,3,4-thiadiazole
SMILESFC(F)c1nnc(-n2ccc(Br)n2)s1
InChIInChI=1S/C6H3BrF2N4S/c7-3-1-2-13(12-3)6-11-10-5(14-6)4(8)9/h1-2,4H
InChIKeyYXUXXUPZPAOJII-UHFFFAOYSA-N
MW281.09 g/mol
LogP2.42
Rot. Bonds2

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

2-(3-bromopyrazol-1-yl)-5-(difluoromethyl)-1,3,4-thiadiazole (PubChem CID 131067843) has the molecular formula C6H3BrF2N4S and a molecular weight of 281.09 g/mol. Its IUPAC name is 2-(3-bromopyrazol-1-yl)-5-(difluoromethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(3-bromopyrazol-1-yl)-5-(difluoromethyl)-1,3,4-thiadiazole
PubChem CID131067843
Molecular FormulaC6H3BrF2N4S
Molecular Weight281.09 g/mol
Exact Mass279.92
IUPAC Name2-(3-bromopyrazol-1-yl)-5-(difluoromethyl)-1,3,4-thiadiazole
SMILESFC(F)c1nnc(-n2ccc(Br)n2)s1
InChIInChI=1S/C6H3BrF2N4S/c7-3-1-2-13(12-3)6-11-10-5(14-6)4(8)9/h1-2,4H
InChIKeyYXUXXUPZPAOJII-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 ≤ 500281.09
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-(3-bromopyrazol-1-yl)-5-(difluoromethyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(3-bromopyrazol-1-yl)-5-(difluoromethyl)-1,3,4-thiadiazole (CID 131067843) is 2-(3-bromopyrazol-1-yl)-5-(difluoromethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(3-bromopyrazol-1-yl)-5-(difluoromethyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(3-bromopyrazol-1-yl)-5-(difluoromethyl)-1,3,4-thiadiazole is FC(F)c1nnc(-n2ccc(Br)n2)s1.
What is the InChIKey of 2-(3-bromopyrazol-1-yl)-5-(difluoromethyl)-1,3,4-thiadiazole?
The InChIKey is YXUXXUPZPAOJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrF2N4S/c7-3-1-2-13(12-3)6-11-10-5(14-6)4(8)9/h1-2,4H.
What are the key properties of 2-(3-bromopyrazol-1-yl)-5-(difluoromethyl)-1,3,4-thiadiazole?
2-(3-bromopyrazol-1-yl)-5-(difluoromethyl)-1,3,4-thiadiazole has a molecular weight of 281.09 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-(3-bromopyrazol-1-yl)-5-(difluoromethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 131067843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).