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

C9H10BrNOS — CID 84710146

IUPAC2-bromo-5-cyclopentyl-1,3-thiazole-4-carbaldehyde
SMILESO=Cc1nc(Br)sc1C1CCCC1
InChIInChI=1S/C9H10BrNOS/c10-9-11-7(5-12)8(13-9)6-3-1-2-4-6/h5-6H,1-4H2
InChIKeyZWDVVKLFWDXDPX-UHFFFAOYSA-N
MW260.16 g/mol
LogP3.38
Rot. Bonds2

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

2-bromo-5-cyclopentyl-1,3-thiazole-4-carbaldehyde (PubChem CID 84710146) has the molecular formula C9H10BrNOS and a molecular weight of 260.16 g/mol. Its IUPAC name is 2-bromo-5-cyclopentyl-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name2-bromo-5-cyclopentyl-1,3-thiazole-4-carbaldehyde
PubChem CID84710146
Molecular FormulaC9H10BrNOS
Molecular Weight260.16 g/mol
Exact Mass258.97
IUPAC Name2-bromo-5-cyclopentyl-1,3-thiazole-4-carbaldehyde
SMILESO=Cc1nc(Br)sc1C1CCCC1
InChIInChI=1S/C9H10BrNOS/c10-9-11-7(5-12)8(13-9)6-3-1-2-4-6/h5-6H,1-4H2
InChIKeyZWDVVKLFWDXDPX-UHFFFAOYSA-N
XLogP3.38
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 53.38
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-cyclobutyl-1,3-thiazole-4-carbaldehyde
CID 84705591
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-5-cyclopentyl-1H-imidazole-2-carbaldehyde
CID 82373915
2,5-dibromo-4-cyclopentyl-1,3-thiazole
CID 66521223
5-bromo-3-cyclopentylimidazo[1,5-a]pyridine-1-carbaldehyde
CID 84743823
4-bromo-3-thia-5-azatricyclo[5.2.1.02,6]deca-2(6),4-diene
CID 112623615
2-cyclohexyl-5-methyl-1H-imidazole-4-carbaldehyde
CID 83637053
4,5-dibromo-2-cyclobutyl-1,3-thiazole
CID 66521426
5-cyclopentyl-1,3-oxazole-4-carbaldehyde
CID 82414681
5-cyclobutyl-2H-triazole-4-carbaldehyde
CID 105429558
2-cyclopentylpyrimidine-4-carbaldehyde
CID 62749496

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-cyclopentyl-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 2-bromo-5-cyclopentyl-1,3-thiazole-4-carbaldehyde (CID 84710146) is 2-bromo-5-cyclopentyl-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 2-bromo-5-cyclopentyl-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 2-bromo-5-cyclopentyl-1,3-thiazole-4-carbaldehyde is O=Cc1nc(Br)sc1C1CCCC1.
What is the InChIKey of 2-bromo-5-cyclopentyl-1,3-thiazole-4-carbaldehyde?
The InChIKey is ZWDVVKLFWDXDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNOS/c10-9-11-7(5-12)8(13-9)6-3-1-2-4-6/h5-6H,1-4H2.
What are the key properties of 2-bromo-5-cyclopentyl-1,3-thiazole-4-carbaldehyde?
2-bromo-5-cyclopentyl-1,3-thiazole-4-carbaldehyde has a molecular weight of 260.16 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-cyclopentyl-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 84710146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).