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

C10H6BrNO2S — CID 84715257

IUPAC2-bromo-5-(2-hydroxyphenyl)-1,3-thiazole-4-carbaldehyde
SMILESO=Cc1nc(Br)sc1-c1ccccc1O
InChIInChI=1S/C10H6BrNO2S/c11-10-12-7(5-13)9(15-10)6-3-1-2-4-8(6)14/h1-5,14H
InChIKeyTVJDKOWQULYJKL-UHFFFAOYSA-N
MW284.13 g/mol
LogP3.09
Rot. Bonds2

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

2-bromo-5-(2-hydroxyphenyl)-1,3-thiazole-4-carbaldehyde (PubChem CID 84715257) has the molecular formula C10H6BrNO2S and a molecular weight of 284.13 g/mol. Its IUPAC name is 2-bromo-5-(2-hydroxyphenyl)-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name2-bromo-5-(2-hydroxyphenyl)-1,3-thiazole-4-carbaldehyde
PubChem CID84715257
Molecular FormulaC10H6BrNO2S
Molecular Weight284.13 g/mol
Exact Mass282.93
IUPAC Name2-bromo-5-(2-hydroxyphenyl)-1,3-thiazole-4-carbaldehyde
SMILESO=Cc1nc(Br)sc1-c1ccccc1O
InChIInChI=1S/C10H6BrNO2S/c11-10-12-7(5-13)9(15-10)6-3-1-2-4-8(6)14/h1-5,14H
InChIKeyTVJDKOWQULYJKL-UHFFFAOYSA-N
XLogP3.09
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.13
LogP ≤ 53.09
H-Bond Donors ≤ 51
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-bromo-5-(2-hydroxyphenyl)-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 2-bromo-5-(2-hydroxyphenyl)-1,3-thiazole-4-carbaldehyde (CID 84715257) is 2-bromo-5-(2-hydroxyphenyl)-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 2-bromo-5-(2-hydroxyphenyl)-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 2-bromo-5-(2-hydroxyphenyl)-1,3-thiazole-4-carbaldehyde is O=Cc1nc(Br)sc1-c1ccccc1O.
What is the InChIKey of 2-bromo-5-(2-hydroxyphenyl)-1,3-thiazole-4-carbaldehyde?
The InChIKey is TVJDKOWQULYJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrNO2S/c11-10-12-7(5-13)9(15-10)6-3-1-2-4-8(6)14/h1-5,14H.
What are the key properties of 2-bromo-5-(2-hydroxyphenyl)-1,3-thiazole-4-carbaldehyde?
2-bromo-5-(2-hydroxyphenyl)-1,3-thiazole-4-carbaldehyde has a molecular weight of 284.13 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(2-hydroxyphenyl)-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 84715257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).