2-(5-bromo-2-chlorophenoxy)-4-chloro-1,3-thiazole-5-carbaldehyde

C10H4BrCl2NO2S — CID 80687816

IUPAC2-(5-bromo-2-chlorophenoxy)-4-chloro-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1sc(Oc2cc(Br)ccc2Cl)nc1Cl
InChIInChI=1S/C10H4BrCl2NO2S/c11-5-1-2-6(12)7(3-5)16-10-14-9(13)8(4-15)17-10/h1-4H
InChIKeyXHWJPWWNZFJOBN-UHFFFAOYSA-N
MW353.02 g/mol
LogP4.82
Rot. Bonds3

About 2-(5-bromo-2-chlorophenoxy)-4-chloro-1,3-thiazole-5-carbaldehyde

2-(5-bromo-2-chlorophenoxy)-4-chloro-1,3-thiazole-5-carbaldehyde (PubChem CID 80687816) has the molecular formula C10H4BrCl2NO2S and a molecular weight of 353.02 g/mol. Its IUPAC name is 2-(5-bromo-2-chlorophenoxy)-4-chloro-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(5-bromo-2-chlorophenoxy)-4-chloro-1,3-thiazole-5-carbaldehyde
PubChem CID80687816
Molecular FormulaC10H4BrCl2NO2S
Molecular Weight353.02 g/mol
Exact Mass350.85
IUPAC Name2-(5-bromo-2-chlorophenoxy)-4-chloro-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1sc(Oc2cc(Br)ccc2Cl)nc1Cl
InChIInChI=1S/C10H4BrCl2NO2S/c11-5-1-2-6(12)7(3-5)16-10-14-9(13)8(4-15)17-10/h1-4H
InChIKeyXHWJPWWNZFJOBN-UHFFFAOYSA-N
XLogP4.82
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.02
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-chlorophenoxy)-4-chloro-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(5-bromo-2-chlorophenoxy)-4-chloro-1,3-thiazole-5-carbaldehyde (CID 80687816) is 2-(5-bromo-2-chlorophenoxy)-4-chloro-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(5-bromo-2-chlorophenoxy)-4-chloro-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(5-bromo-2-chlorophenoxy)-4-chloro-1,3-thiazole-5-carbaldehyde is O=Cc1sc(Oc2cc(Br)ccc2Cl)nc1Cl.
What is the InChIKey of 2-(5-bromo-2-chlorophenoxy)-4-chloro-1,3-thiazole-5-carbaldehyde?
The InChIKey is XHWJPWWNZFJOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4BrCl2NO2S/c11-5-1-2-6(12)7(3-5)16-10-14-9(13)8(4-15)17-10/h1-4H.
What are the key properties of 2-(5-bromo-2-chlorophenoxy)-4-chloro-1,3-thiazole-5-carbaldehyde?
2-(5-bromo-2-chlorophenoxy)-4-chloro-1,3-thiazole-5-carbaldehyde has a molecular weight of 353.02 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-chlorophenoxy)-4-chloro-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 80687816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).