2-bromo-5-(1,3-thiazol-5-ylmethoxy)benzaldehyde

C11H8BrNO2S — CID 112640713

IUPAC2-bromo-5-(1,3-thiazol-5-ylmethoxy)benzaldehyde
SMILESO=Cc1cc(OCc2cncs2)ccc1Br
InChIInChI=1S/C11H8BrNO2S/c12-11-2-1-9(3-8(11)5-14)15-6-10-4-13-7-16-10/h1-5,7H,6H2
InChIKeyIOWVJCVSZCFLHQ-UHFFFAOYSA-N
MW298.16 g/mol
LogP3.30
Rot. Bonds4

About 2-bromo-5-(1,3-thiazol-5-ylmethoxy)benzaldehyde

2-bromo-5-(1,3-thiazol-5-ylmethoxy)benzaldehyde (PubChem CID 112640713) has the molecular formula C11H8BrNO2S and a molecular weight of 298.16 g/mol. Its IUPAC name is 2-bromo-5-(1,3-thiazol-5-ylmethoxy)benzaldehyde.

Molecular Properties

Compound Name2-bromo-5-(1,3-thiazol-5-ylmethoxy)benzaldehyde
PubChem CID112640713
Molecular FormulaC11H8BrNO2S
Molecular Weight298.16 g/mol
Exact Mass296.95
IUPAC Name2-bromo-5-(1,3-thiazol-5-ylmethoxy)benzaldehyde
SMILESO=Cc1cc(OCc2cncs2)ccc1Br
InChIInChI=1S/C11H8BrNO2S/c12-11-2-1-9(3-8(11)5-14)15-6-10-4-13-7-16-10/h1-5,7H,6H2
InChIKeyIOWVJCVSZCFLHQ-UHFFFAOYSA-N
XLogP3.30
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.16
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-bromo-5-(1,3-thiazol-5-ylmethoxy)benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methoxy-2-(1,3-thiazol-5-ylmethoxy)benzaldehyde
CID 112640692
5-[(3-bromo-4-fluorophenoxy)methyl]-1,3-thiazole
CID 112640679
2-methyl-4-(1,3-thiazol-5-ylmethoxy)aniline
CID 112640166
1-[2-bromo-5-(1,3-thiazol-5-ylmethoxy)phenyl]butan-2-amine
CID 112643638
2-bromo-5-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 58990542
2-bromo-5-[(3,5-difluorophenyl)methoxy]benzaldehyde
CID 105403669
2-bromo-5-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]benzaldehyde
CID 81494161
[2-fluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]-dimethylborane
CID 58430075
2-bromo-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzaldehyde
CID 81497170
2-bromo-5-[(3,4-difluorophenyl)methoxy]benzaldehyde
CID 82918902
5-[(6-chloro-3-pyridinyl)oxymethyl]-1,3-thiazole
CID 112645504
2-chloro-4-(1,3-thiazol-5-ylmethoxy)benzonitrile
CID 102724111

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(1,3-thiazol-5-ylmethoxy)benzaldehyde?
The IUPAC name of 2-bromo-5-(1,3-thiazol-5-ylmethoxy)benzaldehyde (CID 112640713) is 2-bromo-5-(1,3-thiazol-5-ylmethoxy)benzaldehyde.
What is the SMILES notation for 2-bromo-5-(1,3-thiazol-5-ylmethoxy)benzaldehyde?
The canonical SMILES for 2-bromo-5-(1,3-thiazol-5-ylmethoxy)benzaldehyde is O=Cc1cc(OCc2cncs2)ccc1Br.
What is the InChIKey of 2-bromo-5-(1,3-thiazol-5-ylmethoxy)benzaldehyde?
The InChIKey is IOWVJCVSZCFLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO2S/c12-11-2-1-9(3-8(11)5-14)15-6-10-4-13-7-16-10/h1-5,7H,6H2.
What are the key properties of 2-bromo-5-(1,3-thiazol-5-ylmethoxy)benzaldehyde?
2-bromo-5-(1,3-thiazol-5-ylmethoxy)benzaldehyde has a molecular weight of 298.16 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(1,3-thiazol-5-ylmethoxy)benzaldehyde is sourced from PubChem (CID 112640713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).