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

C10H5BrFNOS — CID 107281187

IUPAC2-(2-bromo-4-fluorophenyl)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(-c2ccc(F)cc2Br)s1
InChIInChI=1S/C10H5BrFNOS/c11-9-3-6(12)1-2-8(9)10-13-4-7(5-14)15-10/h1-5H
InChIKeyMZZVDQHMCCEZBD-UHFFFAOYSA-N
MW286.12 g/mol
LogP3.52
Rot. Bonds2

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

2-(2-bromo-4-fluorophenyl)-1,3-thiazole-5-carbaldehyde (PubChem CID 107281187) has the molecular formula C10H5BrFNOS and a molecular weight of 286.12 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-1,3-thiazole-5-carbaldehyde
PubChem CID107281187
Molecular FormulaC10H5BrFNOS
Molecular Weight286.12 g/mol
Exact Mass284.93
IUPAC Name2-(2-bromo-4-fluorophenyl)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(-c2ccc(F)cc2Br)s1
InChIInChI=1S/C10H5BrFNOS/c11-9-3-6(12)1-2-8(9)10-13-4-7(5-14)15-10/h1-5H
InChIKeyMZZVDQHMCCEZBD-UHFFFAOYSA-N
XLogP3.52
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.12
LogP ≤ 53.52
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-bromo-3-fluorophenyl)-1,3-thiazole-5-carbaldehyde
CID 131162374
2-(5-fluoro-1H-indol-2-yl)-1,3-thiazole-5-carbaldehyde
CID 82384623
2-(5-bromo-1,3-thiazol-2-yl)-1,3-thiazole-5-carbaldehyde
CID 146635967
2-(3-bromofuran-2-yl)-1,3-thiazole-5-carbaldehyde
CID 106886413
2-(2,6-difluorophenyl)-1,3-thiazole-5-carbaldehyde
CID 58504235
2-[2-(difluoromethoxy)-5-fluoro-3-pyridinyl]-1,3-thiazole-5-carbaldehyde
CID 178133864
2-(2,5-dichlorothiophen-3-yl)-1,3-thiazole-5-carbaldehyde
CID 130655979
2-[2-(difluoromethoxy)-4,5-difluorophenyl]-1,3-thiazole-5-carbaldehyde
CID 178133496
2-(4-methylpyrimidin-5-yl)-1,3-thiazole-5-carbaldehyde
CID 130941438
2-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbaldehyde
CID 113291987
3-(2-bromo-4-fluorophenyl)-1-pyridin-2-ylpyrazole-4-carbaldehyde
CID 81041731
5-amino-2-(2-bromo-4-fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 103199947

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-1,3-thiazole-5-carbaldehyde (CID 107281187) is 2-(2-bromo-4-fluorophenyl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-1,3-thiazole-5-carbaldehyde is O=Cc1cnc(-c2ccc(F)cc2Br)s1.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is MZZVDQHMCCEZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrFNOS/c11-9-3-6(12)1-2-8(9)10-13-4-7(5-14)15-10/h1-5H.
What are the key properties of 2-(2-bromo-4-fluorophenyl)-1,3-thiazole-5-carbaldehyde?
2-(2-bromo-4-fluorophenyl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 286.12 g/mol, XLogP of 3.52, 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-fluorophenyl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 107281187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).