2-(2-bromo-4-methylphenyl)-4-methyl-1,3-thiazole-5-carbaldehyde

C12H10BrNOS — CID 131566329

IUPAC2-(2-bromo-4-methylphenyl)-4-methyl-1,3-thiazole-5-carbaldehyde
SMILESCc1ccc(-c2nc(C)c(C=O)s2)c(Br)c1
InChIInChI=1S/C12H10BrNOS/c1-7-3-4-9(10(13)5-7)12-14-8(2)11(6-15)16-12/h3-6H,1-2H3
InChIKeyWJOHOIBHJAANER-UHFFFAOYSA-N
MW296.19 g/mol
LogP4.00
Rot. Bonds2

About 2-(2-bromo-4-methylphenyl)-4-methyl-1,3-thiazole-5-carbaldehyde

2-(2-bromo-4-methylphenyl)-4-methyl-1,3-thiazole-5-carbaldehyde (PubChem CID 131566329) has the molecular formula C12H10BrNOS and a molecular weight of 296.19 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenyl)-4-methyl-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenyl)-4-methyl-1,3-thiazole-5-carbaldehyde
PubChem CID131566329
Molecular FormulaC12H10BrNOS
Molecular Weight296.19 g/mol
Exact Mass294.97
IUPAC Name2-(2-bromo-4-methylphenyl)-4-methyl-1,3-thiazole-5-carbaldehyde
SMILESCc1ccc(-c2nc(C)c(C=O)s2)c(Br)c1
InChIInChI=1S/C12H10BrNOS/c1-7-3-4-9(10(13)5-7)12-14-8(2)11(6-15)16-12/h3-6H,1-2H3
InChIKeyWJOHOIBHJAANER-UHFFFAOYSA-N
XLogP4.00
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.19
LogP ≤ 54.00
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

2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbaldehyde
CID 131616366
4-methyl-2-(2,3,4-trimethylphenyl)-1,3-thiazole-5-carbaldehyde
CID 116885687
N-[[2-(2-bromo-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114015458
methyl 5-amino-2-(2-bromo-4-methylphenyl)-1,3-thiazole-4-carboxylate
CID 103199725
4-methyl-2-(4-methylsulfanylphenyl)-1,3-thiazole-5-carbaldehyde
CID 116885669
2-(2-bromo-4-methylphenyl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
CID 114360497
[2-(2-bromo-4-methylphenyl)-1,3-thiazol-4-yl]methanol
CID 107916027
[2-(2-bromo-4-methylphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 114015463
4-methyl-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-thiazole-5-carbaldehyde
CID 115003475
2-(2-ethoxy-5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazole-5-carbaldehyde
CID 178132863
4-methyl-2-(2-methyl-3H-benzimidazol-5-yl)-1,3-thiazole-5-carbaldehyde
CID 116885674
4-[2-(2-bromo-4-methylphenyl)-1,3-thiazol-4-yl]aniline
CID 107915325

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenyl)-4-methyl-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(2-bromo-4-methylphenyl)-4-methyl-1,3-thiazole-5-carbaldehyde (CID 131566329) is 2-(2-bromo-4-methylphenyl)-4-methyl-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(2-bromo-4-methylphenyl)-4-methyl-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(2-bromo-4-methylphenyl)-4-methyl-1,3-thiazole-5-carbaldehyde is Cc1ccc(-c2nc(C)c(C=O)s2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylphenyl)-4-methyl-1,3-thiazole-5-carbaldehyde?
The InChIKey is WJOHOIBHJAANER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNOS/c1-7-3-4-9(10(13)5-7)12-14-8(2)11(6-15)16-12/h3-6H,1-2H3.
What are the key properties of 2-(2-bromo-4-methylphenyl)-4-methyl-1,3-thiazole-5-carbaldehyde?
2-(2-bromo-4-methylphenyl)-4-methyl-1,3-thiazole-5-carbaldehyde has a molecular weight of 296.19 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenyl)-4-methyl-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 131566329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).