5-bromo-4-pyridin-3-yl-1,3-thiazole

C8H5BrN2S — CID 66520118

IUPAC5-bromo-4-pyridin-3-yl-1,3-thiazole
SMILESBrc1scnc1-c1cccnc1
InChIInChI=1S/C8H5BrN2S/c9-8-7(11-5-12-8)6-2-1-3-10-4-6/h1-5H
InChIKeyFPNIRPRYQMQMNZ-UHFFFAOYSA-N
MW241.11 g/mol
LogP2.97
Rot. Bonds1

About 5-bromo-4-pyridin-3-yl-1,3-thiazole

5-bromo-4-pyridin-3-yl-1,3-thiazole (PubChem CID 66520118) has the molecular formula C8H5BrN2S and a molecular weight of 241.11 g/mol. Its IUPAC name is 5-bromo-4-pyridin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name5-bromo-4-pyridin-3-yl-1,3-thiazole
PubChem CID66520118
Molecular FormulaC8H5BrN2S
Molecular Weight241.11 g/mol
Exact Mass239.94
IUPAC Name5-bromo-4-pyridin-3-yl-1,3-thiazole
SMILESBrc1scnc1-c1cccnc1
InChIInChI=1S/C8H5BrN2S/c9-8-7(11-5-12-8)6-2-1-3-10-4-6/h1-5H
InChIKeyFPNIRPRYQMQMNZ-UHFFFAOYSA-N
XLogP2.97
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.11
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromothiophen-2-yl)pyridine
CID 22180781
2,3-dipyridin-3-ylpyridine;hydrobromide
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2,3-dipyridin-3-ylpyridine;methane
CID 174971096
2,3-dipyridin-3-ylpyridine;ruthenium(3+);trichloride
CID 175008055
cyclopenta[c]azepine
CID 638010
5-bromo-6-pyridin-3-ylimidazo[2,1-b][1,3]thiazole
CID 50878457
3-(5-bromo-4-chlorothiophen-2-yl)pyridine
CID 68843597
3-(2,6-dibromophenyl)pyridine
CID 76539776
calcium;2,3-dipyridin-3-ylpyridine;hydride
CID 174847287
2-pyridin-3-yl-1,3,4-thiadiazole
CID 19871284
3-phenyl-2-pyridin-3-ylpyridine
CID 140510629
2,3-dipyridin-3-ylpyridine;ruthenium(3+);trichloride;hexahydrate
CID 175003948

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-pyridin-3-yl-1,3-thiazole?
The IUPAC name of 5-bromo-4-pyridin-3-yl-1,3-thiazole (CID 66520118) is 5-bromo-4-pyridin-3-yl-1,3-thiazole.
What is the SMILES notation for 5-bromo-4-pyridin-3-yl-1,3-thiazole?
The canonical SMILES for 5-bromo-4-pyridin-3-yl-1,3-thiazole is Brc1scnc1-c1cccnc1.
What is the InChIKey of 5-bromo-4-pyridin-3-yl-1,3-thiazole?
The InChIKey is FPNIRPRYQMQMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2S/c9-8-7(11-5-12-8)6-2-1-3-10-4-6/h1-5H.
What are the key properties of 5-bromo-4-pyridin-3-yl-1,3-thiazole?
5-bromo-4-pyridin-3-yl-1,3-thiazole has a molecular weight of 241.11 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-pyridin-3-yl-1,3-thiazole is sourced from PubChem (CID 66520118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).