2-[(5-bromo-3-pyridinyl)oxy]-4-chloro-1,3-thiazole

C8H4BrClN2OS — CID 83152388

IUPAC2-[(5-bromo-3-pyridinyl)oxy]-4-chloro-1,3-thiazole
SMILESClc1csc(Oc2cncc(Br)c2)n1
InChIInChI=1S/C8H4BrClN2OS/c9-5-1-6(3-11-2-5)13-8-12-7(10)4-14-8/h1-4H
InChIKeyDANGBKXBNALXRG-UHFFFAOYSA-N
MW291.56 g/mol
LogP3.75
Rot. Bonds2

About 2-[(5-bromo-3-pyridinyl)oxy]-4-chloro-1,3-thiazole

2-[(5-bromo-3-pyridinyl)oxy]-4-chloro-1,3-thiazole (PubChem CID 83152388) has the molecular formula C8H4BrClN2OS and a molecular weight of 291.56 g/mol. Its IUPAC name is 2-[(5-bromo-3-pyridinyl)oxy]-4-chloro-1,3-thiazole.

Molecular Properties

Compound Name2-[(5-bromo-3-pyridinyl)oxy]-4-chloro-1,3-thiazole
PubChem CID83152388
Molecular FormulaC8H4BrClN2OS
Molecular Weight291.56 g/mol
Exact Mass289.89
IUPAC Name2-[(5-bromo-3-pyridinyl)oxy]-4-chloro-1,3-thiazole
SMILESClc1csc(Oc2cncc(Br)c2)n1
InChIInChI=1S/C8H4BrClN2OS/c9-5-1-6(3-11-2-5)13-8-12-7(10)4-14-8/h1-4H
InChIKeyDANGBKXBNALXRG-UHFFFAOYSA-N
XLogP3.75
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.56
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-pyridinyl)oxy]-4-chloro-1,3-thiazole?
The IUPAC name of 2-[(5-bromo-3-pyridinyl)oxy]-4-chloro-1,3-thiazole (CID 83152388) is 2-[(5-bromo-3-pyridinyl)oxy]-4-chloro-1,3-thiazole.
What is the SMILES notation for 2-[(5-bromo-3-pyridinyl)oxy]-4-chloro-1,3-thiazole?
The canonical SMILES for 2-[(5-bromo-3-pyridinyl)oxy]-4-chloro-1,3-thiazole is Clc1csc(Oc2cncc(Br)c2)n1.
What is the InChIKey of 2-[(5-bromo-3-pyridinyl)oxy]-4-chloro-1,3-thiazole?
The InChIKey is DANGBKXBNALXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClN2OS/c9-5-1-6(3-11-2-5)13-8-12-7(10)4-14-8/h1-4H.
What are the key properties of 2-[(5-bromo-3-pyridinyl)oxy]-4-chloro-1,3-thiazole?
2-[(5-bromo-3-pyridinyl)oxy]-4-chloro-1,3-thiazole has a molecular weight of 291.56 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-pyridinyl)oxy]-4-chloro-1,3-thiazole is sourced from PubChem (CID 83152388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).