2-[2-(2-bromophenyl)-1,3-thiazol-4-yl]acetaldehyde

C11H8BrNOS — CID 115089496

IUPAC2-[2-(2-bromophenyl)-1,3-thiazol-4-yl]acetaldehyde
SMILESO=CCc1csc(-c2ccccc2Br)n1
InChIInChI=1S/C11H8BrNOS/c12-10-4-2-1-3-9(10)11-13-8(5-6-14)7-15-11/h1-4,6-7H,5H2
InChIKeyKUJGSGBNUNXSPQ-UHFFFAOYSA-N
MW282.16 g/mol
LogP3.31
Rot. Bonds3

About 2-[2-(2-bromophenyl)-1,3-thiazol-4-yl]acetaldehyde

2-[2-(2-bromophenyl)-1,3-thiazol-4-yl]acetaldehyde (PubChem CID 115089496) has the molecular formula C11H8BrNOS and a molecular weight of 282.16 g/mol. Its IUPAC name is 2-[2-(2-bromophenyl)-1,3-thiazol-4-yl]acetaldehyde.

Molecular Properties

Compound Name2-[2-(2-bromophenyl)-1,3-thiazol-4-yl]acetaldehyde
PubChem CID115089496
Molecular FormulaC11H8BrNOS
Molecular Weight282.16 g/mol
Exact Mass280.95
IUPAC Name2-[2-(2-bromophenyl)-1,3-thiazol-4-yl]acetaldehyde
SMILESO=CCc1csc(-c2ccccc2Br)n1
InChIInChI=1S/C11H8BrNOS/c12-10-4-2-1-3-9(10)11-13-8(5-6-14)7-15-11/h1-4,6-7H,5H2
InChIKeyKUJGSGBNUNXSPQ-UHFFFAOYSA-N
XLogP3.31
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.16
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(2-bromophenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 54979038
3-[2-(2-bromophenyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 116889292
2-(2-bromophenyl)-4-methyl-1,3-thiazole
CID 54593856
2-(2-bromophenyl)-1,3-thiazole-4-carboxamide
CID 116892022
2-(2-bromo-1,3-thiazol-4-yl)acetaldehyde;ethane;methoxymethane
CID 153389943
4-(5-bromofuran-2-yl)-2-(2-bromophenyl)-1,3-thiazole
CID 104654186
2-(2-bromophenyl)-4-(5-chlorothiophen-2-yl)-1,3-thiazole
CID 79832539
2-(2-bromophenyl)-4-(2-methoxyphenyl)-1,3-thiazole
CID 79831089
1-[2-(2-bromophenyl)-1,3-thiazol-4-yl]-N-ethylethanamine
CID 64544083
2-(2-bromophenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104928821
2-(2-bromophenyl)-4-(5-chlorothiophen-3-yl)-1,3-thiazole
CID 114083072
2-(2-bromophenyl)-4-(3,4-dimethylphenyl)-1,3-thiazole
CID 79832425

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bromophenyl)-1,3-thiazol-4-yl]acetaldehyde?
The IUPAC name of 2-[2-(2-bromophenyl)-1,3-thiazol-4-yl]acetaldehyde (CID 115089496) is 2-[2-(2-bromophenyl)-1,3-thiazol-4-yl]acetaldehyde.
What is the SMILES notation for 2-[2-(2-bromophenyl)-1,3-thiazol-4-yl]acetaldehyde?
The canonical SMILES for 2-[2-(2-bromophenyl)-1,3-thiazol-4-yl]acetaldehyde is O=CCc1csc(-c2ccccc2Br)n1.
What is the InChIKey of 2-[2-(2-bromophenyl)-1,3-thiazol-4-yl]acetaldehyde?
The InChIKey is KUJGSGBNUNXSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNOS/c12-10-4-2-1-3-9(10)11-13-8(5-6-14)7-15-11/h1-4,6-7H,5H2.
What are the key properties of 2-[2-(2-bromophenyl)-1,3-thiazol-4-yl]acetaldehyde?
2-[2-(2-bromophenyl)-1,3-thiazol-4-yl]acetaldehyde has a molecular weight of 282.16 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bromophenyl)-1,3-thiazol-4-yl]acetaldehyde is sourced from PubChem (CID 115089496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).