5-bromo-3-(difluoromethyl)-1,2,4-thiadiazole

C3HBrF2N2S — CID 154706545

IUPAC5-bromo-3-(difluoromethyl)-1,2,4-thiadiazole
SMILESFC(F)c1nsc(Br)n1
InChIInChI=1S/C3HBrF2N2S/c4-3-7-2(1(5)6)8-9-3/h1H
InChIKeySNXUKQDHUKDIKS-UHFFFAOYSA-N
MW215.02 g/mol
LogP2.24
Rot. Bonds1

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

5-bromo-3-(difluoromethyl)-1,2,4-thiadiazole (PubChem CID 154706545) has the molecular formula C3HBrF2N2S and a molecular weight of 215.02 g/mol. Its IUPAC name is 5-bromo-3-(difluoromethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-bromo-3-(difluoromethyl)-1,2,4-thiadiazole
PubChem CID154706545
Molecular FormulaC3HBrF2N2S
Molecular Weight215.02 g/mol
Exact Mass213.90
IUPAC Name5-bromo-3-(difluoromethyl)-1,2,4-thiadiazole
SMILESFC(F)c1nsc(Br)n1
InChIInChI=1S/C3HBrF2N2S/c4-3-7-2(1(5)6)8-9-3/h1H
InChIKeySNXUKQDHUKDIKS-UHFFFAOYSA-N
XLogP2.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.02
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Bromo-3-methyl-1,2,4-thiadiazole
CID 12919160
5-Chloro-3-(difluoromethyl)-1,2,4-thiadiazole
CID 22157821
5-Bromo-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 83895363
3-(Difluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105429510
5-Fluoro-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 139959853
5-Chloro-3-(fluoromethyl)-1,2,4-thiadiazole
CID 53762538
CID 59497977
CID 59497977
CID 59498013
CID 59498013
5-Fluoro-3-methyl-1,2,4-thiadiazole
CID 68382243
3-Methyl-5-(trifluoromethoxy)-1,2,4-thiadiazole
CID 118466199
5-Bromo-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole
CID 102617869
5-Bromo-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole
CID 102618156

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(difluoromethyl)-1,2,4-thiadiazole?
The IUPAC name of 5-bromo-3-(difluoromethyl)-1,2,4-thiadiazole (CID 154706545) is 5-bromo-3-(difluoromethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-bromo-3-(difluoromethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-bromo-3-(difluoromethyl)-1,2,4-thiadiazole is FC(F)c1nsc(Br)n1.
What is the InChIKey of 5-bromo-3-(difluoromethyl)-1,2,4-thiadiazole?
The InChIKey is SNXUKQDHUKDIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HBrF2N2S/c4-3-7-2(1(5)6)8-9-3/h1H.
What are the key properties of 5-bromo-3-(difluoromethyl)-1,2,4-thiadiazole?
5-bromo-3-(difluoromethyl)-1,2,4-thiadiazole has a molecular weight of 215.02 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(difluoromethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 154706545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).