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

C10H4BrClFNO2S — CID 80688192

IUPAC2-(4-bromo-3-fluorophenoxy)-4-chloro-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1sc(Oc2ccc(Br)c(F)c2)nc1Cl
InChIInChI=1S/C10H4BrClFNO2S/c11-6-2-1-5(3-7(6)13)16-10-14-9(12)8(4-15)17-10/h1-4H
InChIKeyCNXWQRNXBQWBTH-UHFFFAOYSA-N
MW336.57 g/mol
LogP4.30
Rot. Bonds3

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

2-(4-bromo-3-fluorophenoxy)-4-chloro-1,3-thiazole-5-carbaldehyde (PubChem CID 80688192) has the molecular formula C10H4BrClFNO2S and a molecular weight of 336.57 g/mol. Its IUPAC name is 2-(4-bromo-3-fluorophenoxy)-4-chloro-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(4-bromo-3-fluorophenoxy)-4-chloro-1,3-thiazole-5-carbaldehyde
PubChem CID80688192
Molecular FormulaC10H4BrClFNO2S
Molecular Weight336.57 g/mol
Exact Mass334.88
IUPAC Name2-(4-bromo-3-fluorophenoxy)-4-chloro-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1sc(Oc2ccc(Br)c(F)c2)nc1Cl
InChIInChI=1S/C10H4BrClFNO2S/c11-6-2-1-5(3-7(6)13)16-10-14-9(12)8(4-15)17-10/h1-4H
InChIKeyCNXWQRNXBQWBTH-UHFFFAOYSA-N
XLogP4.30
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.57
LogP ≤ 54.30
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-(4-bromo-3-fluorophenoxy)-4-chloro-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(4-bromo-3-fluorophenoxy)-4-chloro-1,3-thiazole-5-carbaldehyde (CID 80688192) is 2-(4-bromo-3-fluorophenoxy)-4-chloro-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(4-bromo-3-fluorophenoxy)-4-chloro-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(4-bromo-3-fluorophenoxy)-4-chloro-1,3-thiazole-5-carbaldehyde is O=Cc1sc(Oc2ccc(Br)c(F)c2)nc1Cl.
What is the InChIKey of 2-(4-bromo-3-fluorophenoxy)-4-chloro-1,3-thiazole-5-carbaldehyde?
The InChIKey is CNXWQRNXBQWBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4BrClFNO2S/c11-6-2-1-5(3-7(6)13)16-10-14-9(12)8(4-15)17-10/h1-4H.
What are the key properties of 2-(4-bromo-3-fluorophenoxy)-4-chloro-1,3-thiazole-5-carbaldehyde?
2-(4-bromo-3-fluorophenoxy)-4-chloro-1,3-thiazole-5-carbaldehyde has a molecular weight of 336.57 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-fluorophenoxy)-4-chloro-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 80688192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).