4-bromo-2-pyridin-3-yloxy-1,3-thiazole

C8H5BrN2OS — CID 79398986

IUPAC4-bromo-2-pyridin-3-yloxy-1,3-thiazole
SMILESBrc1csc(Oc2cccnc2)n1
InChIInChI=1S/C8H5BrN2OS/c9-7-5-13-8(11-7)12-6-2-1-3-10-4-6/h1-5H
InChIKeyGKKQSAGVKAQYDE-UHFFFAOYSA-N
MW257.11 g/mol
LogP3.09
Rot. Bonds2

About 4-bromo-2-pyridin-3-yloxy-1,3-thiazole

4-bromo-2-pyridin-3-yloxy-1,3-thiazole (PubChem CID 79398986) has the molecular formula C8H5BrN2OS and a molecular weight of 257.11 g/mol. Its IUPAC name is 4-bromo-2-pyridin-3-yloxy-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-pyridin-3-yloxy-1,3-thiazole
PubChem CID79398986
Molecular FormulaC8H5BrN2OS
Molecular Weight257.11 g/mol
Exact Mass255.93
IUPAC Name4-bromo-2-pyridin-3-yloxy-1,3-thiazole
SMILESBrc1csc(Oc2cccnc2)n1
InChIInChI=1S/C8H5BrN2OS/c9-7-5-13-8(11-7)12-6-2-1-3-10-4-6/h1-5H
InChIKeyGKKQSAGVKAQYDE-UHFFFAOYSA-N
XLogP3.09
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.11
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-pyridin-3-yloxy-1,3-thiazole?
The IUPAC name of 4-bromo-2-pyridin-3-yloxy-1,3-thiazole (CID 79398986) is 4-bromo-2-pyridin-3-yloxy-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-pyridin-3-yloxy-1,3-thiazole?
The canonical SMILES for 4-bromo-2-pyridin-3-yloxy-1,3-thiazole is Brc1csc(Oc2cccnc2)n1.
What is the InChIKey of 4-bromo-2-pyridin-3-yloxy-1,3-thiazole?
The InChIKey is GKKQSAGVKAQYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2OS/c9-7-5-13-8(11-7)12-6-2-1-3-10-4-6/h1-5H.
What are the key properties of 4-bromo-2-pyridin-3-yloxy-1,3-thiazole?
4-bromo-2-pyridin-3-yloxy-1,3-thiazole has a molecular weight of 257.11 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-pyridin-3-yloxy-1,3-thiazole is sourced from PubChem (CID 79398986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).