3-bromo-5-(4-fluoro-3-methoxyphenyl)-1,2,4-thiadiazole

C9H6BrFN2OS — CID 102943492

IUPAC3-bromo-5-(4-fluoro-3-methoxyphenyl)-1,2,4-thiadiazole
SMILESCOc1cc(-c2nc(Br)ns2)ccc1F
InChIInChI=1S/C9H6BrFN2OS/c1-14-7-4-5(2-3-6(7)11)8-12-9(10)13-15-8/h2-4H,1H3
InChIKeyOIIBXCLWSYAVBH-UHFFFAOYSA-N
MW289.13 g/mol
LogP3.12
Rot. Bonds2

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

3-bromo-5-(4-fluoro-3-methoxyphenyl)-1,2,4-thiadiazole (PubChem CID 102943492) has the molecular formula C9H6BrFN2OS and a molecular weight of 289.13 g/mol. Its IUPAC name is 3-bromo-5-(4-fluoro-3-methoxyphenyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-bromo-5-(4-fluoro-3-methoxyphenyl)-1,2,4-thiadiazole
PubChem CID102943492
Molecular FormulaC9H6BrFN2OS
Molecular Weight289.13 g/mol
Exact Mass287.94
IUPAC Name3-bromo-5-(4-fluoro-3-methoxyphenyl)-1,2,4-thiadiazole
SMILESCOc1cc(-c2nc(Br)ns2)ccc1F
InChIInChI=1S/C9H6BrFN2OS/c1-14-7-4-5(2-3-6(7)11)8-12-9(10)13-15-8/h2-4H,1H3
InChIKeyOIIBXCLWSYAVBH-UHFFFAOYSA-N
XLogP3.12
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-fluoro-3-methoxyphenyl)-3-iodo-1,2,4-thiadiazole
CID 102943827
4-ethyl-2-(4-fluoro-3-methoxyphenyl)-1,3-thiazole
CID 107923260
4-(dimethoxymethyl)-2-(4-fluoro-3-methoxyphenyl)-1,3-thiazole
CID 114016215
3-bromo-5-(3-chloro-5-methylphenyl)-1,2,4-thiadiazole
CID 102943208
2-(4-fluoro-3-methoxyphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 114016262
2-[2-(4-fluoro-3-methoxyphenyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 107922554
5-bromo-2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine
CID 107922895
4-(3-bromo-1,2,4-thiadiazol-5-yl)-N,N-dimethylaniline
CID 102943222
5-(4-fluoro-3-methoxyphenyl)-1,3-thiazole
CID 91229568
1,3-dichloro-5-(4-fluoro-3-methoxyphenyl)benzene
CID 134623746
4,6-dichloro-2-(4-fluoro-3-methoxyphenyl)-5-iodopyrimidine
CID 107922643
5-bromo-6-ethyl-2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine
CID 107922881

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(4-fluoro-3-methoxyphenyl)-1,2,4-thiadiazole?
The IUPAC name of 3-bromo-5-(4-fluoro-3-methoxyphenyl)-1,2,4-thiadiazole (CID 102943492) is 3-bromo-5-(4-fluoro-3-methoxyphenyl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-bromo-5-(4-fluoro-3-methoxyphenyl)-1,2,4-thiadiazole?
The canonical SMILES for 3-bromo-5-(4-fluoro-3-methoxyphenyl)-1,2,4-thiadiazole is COc1cc(-c2nc(Br)ns2)ccc1F.
What is the InChIKey of 3-bromo-5-(4-fluoro-3-methoxyphenyl)-1,2,4-thiadiazole?
The InChIKey is OIIBXCLWSYAVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrFN2OS/c1-14-7-4-5(2-3-6(7)11)8-12-9(10)13-15-8/h2-4H,1H3.
What are the key properties of 3-bromo-5-(4-fluoro-3-methoxyphenyl)-1,2,4-thiadiazole?
3-bromo-5-(4-fluoro-3-methoxyphenyl)-1,2,4-thiadiazole has a molecular weight of 289.13 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(4-fluoro-3-methoxyphenyl)-1,2,4-thiadiazole is sourced from PubChem (CID 102943492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).