2-bromo-5-cyclobutyl-1,3-thiazole-4-carbaldehyde

C8H8BrNOS — CID 84705591

IUPAC2-bromo-5-cyclobutyl-1,3-thiazole-4-carbaldehyde
SMILESO=Cc1nc(Br)sc1C1CCC1
InChIInChI=1S/C8H8BrNOS/c9-8-10-6(4-11)7(12-8)5-2-1-3-5/h4-5H,1-3H2
InChIKeyXIZWHPIOXLABTR-UHFFFAOYSA-N
MW246.13 g/mol
LogP2.99
Rot. Bonds2

About 2-bromo-5-cyclobutyl-1,3-thiazole-4-carbaldehyde

2-bromo-5-cyclobutyl-1,3-thiazole-4-carbaldehyde (PubChem CID 84705591) has the molecular formula C8H8BrNOS and a molecular weight of 246.13 g/mol. Its IUPAC name is 2-bromo-5-cyclobutyl-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name2-bromo-5-cyclobutyl-1,3-thiazole-4-carbaldehyde
PubChem CID84705591
Molecular FormulaC8H8BrNOS
Molecular Weight246.13 g/mol
Exact Mass244.95
IUPAC Name2-bromo-5-cyclobutyl-1,3-thiazole-4-carbaldehyde
SMILESO=Cc1nc(Br)sc1C1CCC1
InChIInChI=1S/C8H8BrNOS/c9-8-10-6(4-11)7(12-8)5-2-1-3-5/h4-5H,1-3H2
InChIKeyXIZWHPIOXLABTR-UHFFFAOYSA-N
XLogP2.99
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.13
LogP ≤ 52.99
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-bromo-5-cyclopentyl-1,3-thiazole-4-carbaldehyde
CID 84710146
methyl 2-bromo-5-cyclopentyl-1,3-thiazole-4-carboxylate
CID 106510344
4-bromo-5-cyclopentyl-1,2-oxazole-3-carbaldehyde
CID 83912815
4-bromo-3-thia-5-azatricyclo[5.2.1.02,6]deca-2(6),4-diene
CID 112623615
4-bromo-5-cyclopentyl-1H-imidazole-2-carbaldehyde
CID 82373915
4,5-dibromo-2-cyclobutyl-1,3-thiazole
CID 66521426
5-cyclobutyl-2H-triazole-4-carbaldehyde
CID 105429558
2,5-dibromo-4-cyclopentyl-1,3-thiazole
CID 66521223
5-bromo-3-cyclopentylimidazo[1,5-a]pyridine-1-carbaldehyde
CID 84743823
2-cyclohexyl-5-methyl-1H-imidazole-4-carbaldehyde
CID 83637053
5-cyclopentyl-1,3-oxazole-4-carbaldehyde
CID 82414681
2-cyclopentylpyrimidine-4-carbaldehyde
CID 62749496

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-cyclobutyl-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 2-bromo-5-cyclobutyl-1,3-thiazole-4-carbaldehyde (CID 84705591) is 2-bromo-5-cyclobutyl-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 2-bromo-5-cyclobutyl-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 2-bromo-5-cyclobutyl-1,3-thiazole-4-carbaldehyde is O=Cc1nc(Br)sc1C1CCC1.
What is the InChIKey of 2-bromo-5-cyclobutyl-1,3-thiazole-4-carbaldehyde?
The InChIKey is XIZWHPIOXLABTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNOS/c9-8-10-6(4-11)7(12-8)5-2-1-3-5/h4-5H,1-3H2.
What are the key properties of 2-bromo-5-cyclobutyl-1,3-thiazole-4-carbaldehyde?
2-bromo-5-cyclobutyl-1,3-thiazole-4-carbaldehyde has a molecular weight of 246.13 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-cyclobutyl-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 84705591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).