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

C9H6BrClN2OS — CID 155190588

IUPAC4-bromo-2-[(5-chloro-2-pyridinyl)methoxy]-1,3-thiazole
SMILESClc1ccc(COc2nc(Br)cs2)nc1
InChIInChI=1S/C9H6BrClN2OS/c10-8-5-15-9(13-8)14-4-7-2-1-6(11)3-12-7/h1-3,5H,4H2
InChIKeyDMOURHAWGPDBJY-UHFFFAOYSA-N
MW305.58 g/mol
LogP3.53
Rot. Bonds3

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

4-bromo-2-[(5-chloro-2-pyridinyl)methoxy]-1,3-thiazole (PubChem CID 155190588) has the molecular formula C9H6BrClN2OS and a molecular weight of 305.58 g/mol. Its IUPAC name is 4-bromo-2-[(5-chloro-2-pyridinyl)methoxy]-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-[(5-chloro-2-pyridinyl)methoxy]-1,3-thiazole
PubChem CID155190588
Molecular FormulaC9H6BrClN2OS
Molecular Weight305.58 g/mol
Exact Mass303.91
IUPAC Name4-bromo-2-[(5-chloro-2-pyridinyl)methoxy]-1,3-thiazole
SMILESClc1ccc(COc2nc(Br)cs2)nc1
InChIInChI=1S/C9H6BrClN2OS/c10-8-5-15-9(13-8)14-4-7-2-1-6(11)3-12-7/h1-3,5H,4H2
InChIKeyDMOURHAWGPDBJY-UHFFFAOYSA-N
XLogP3.53
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.58
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(5-chloro-2-pyridinyl)methoxy]-1,3-thiazole?
The IUPAC name of 4-bromo-2-[(5-chloro-2-pyridinyl)methoxy]-1,3-thiazole (CID 155190588) is 4-bromo-2-[(5-chloro-2-pyridinyl)methoxy]-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-[(5-chloro-2-pyridinyl)methoxy]-1,3-thiazole?
The canonical SMILES for 4-bromo-2-[(5-chloro-2-pyridinyl)methoxy]-1,3-thiazole is Clc1ccc(COc2nc(Br)cs2)nc1.
What is the InChIKey of 4-bromo-2-[(5-chloro-2-pyridinyl)methoxy]-1,3-thiazole?
The InChIKey is DMOURHAWGPDBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClN2OS/c10-8-5-15-9(13-8)14-4-7-2-1-6(11)3-12-7/h1-3,5H,4H2.
What are the key properties of 4-bromo-2-[(5-chloro-2-pyridinyl)methoxy]-1,3-thiazole?
4-bromo-2-[(5-chloro-2-pyridinyl)methoxy]-1,3-thiazole has a molecular weight of 305.58 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(5-chloro-2-pyridinyl)methoxy]-1,3-thiazole is sourced from PubChem (CID 155190588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).