2-(3-bromo-4-fluorophenoxy)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C11H5BrFN3O2S — CID 133435045

IUPAC2-(3-bromo-4-fluorophenoxy)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1ccnc2sc(Oc3ccc(F)c(Br)c3)nn12
InChIInChI=1S/C11H5BrFN3O2S/c12-7-5-6(1-2-8(7)13)18-11-15-16-9(17)3-4-14-10(16)19-11/h1-5H
InChIKeyIODDOUVIKYRUBR-UHFFFAOYSA-N
MW342.15 g/mol
LogP2.84
Rot. Bonds2

About 2-(3-bromo-4-fluorophenoxy)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

2-(3-bromo-4-fluorophenoxy)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 133435045) has the molecular formula C11H5BrFN3O2S and a molecular weight of 342.15 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenoxy)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenoxy)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID133435045
Molecular FormulaC11H5BrFN3O2S
Molecular Weight342.15 g/mol
Exact Mass340.93
IUPAC Name2-(3-bromo-4-fluorophenoxy)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1ccnc2sc(Oc3ccc(F)c(Br)c3)nn12
InChIInChI=1S/C11H5BrFN3O2S/c12-7-5-6(1-2-8(7)13)18-11-15-16-9(17)3-4-14-10(16)19-11/h1-5H
InChIKeyIODDOUVIKYRUBR-UHFFFAOYSA-N
XLogP2.84
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.15
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-bromo-4-fluorophenoxy)-1,2,4-thiadiazole
CID 83234277
[4-(3-bromo-4-fluorophenoxy)-2-pyridinyl]methanamine
CID 83232159
8-(3-bromo-4-fluorophenoxy)-[1,2,4]triazolo[4,3-a]pyrazine
CID 83235428
2-(3-bromo-4-fluorophenoxy)-3-chloropyridine-4-carboxylic acid
CID 107063604
2-(3-bromo-4-fluorophenoxy)-4-nitropyridine
CID 83234948
2-(3-bromo-4-fluorophenoxy)-4-(trifluoromethyl)pyridine
CID 83235033
2-(3-bromo-4-fluorophenoxy)-3-chloropyridine
CID 83234949
3-(3-bromo-4-fluorophenoxy)-1-propylpyrazin-2-one
CID 83231253
2-bromo-1-fluoro-4-phenoxybenzene
CID 71774083
2-(3-bromo-4-fluorophenoxy)-1-ethylimidazole
CID 83234113
1-[2-(3-bromo-4-fluorophenoxy)-4-pyridinyl]ethanol
CID 83234966
5-(3-bromo-4-fluorophenoxy)-3-tert-butyl-1,2,4-thiadiazole
CID 83231630

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenoxy)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2-(3-bromo-4-fluorophenoxy)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 133435045) is 2-(3-bromo-4-fluorophenoxy)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-(3-bromo-4-fluorophenoxy)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2-(3-bromo-4-fluorophenoxy)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is O=c1ccnc2sc(Oc3ccc(F)c(Br)c3)nn12.
What is the InChIKey of 2-(3-bromo-4-fluorophenoxy)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is IODDOUVIKYRUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrFN3O2S/c12-7-5-6(1-2-8(7)13)18-11-15-16-9(17)3-4-14-10(16)19-11/h1-5H.
What are the key properties of 2-(3-bromo-4-fluorophenoxy)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
2-(3-bromo-4-fluorophenoxy)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 342.15 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenoxy)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 133435045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).