2-(5-bromofuran-2-yl)-1,3-thiazole-4-carbaldehyde

C8H4BrNO2S — CID 60998358

IUPAC2-(5-bromofuran-2-yl)-1,3-thiazole-4-carbaldehyde
SMILESO=Cc1csc(-c2ccc(Br)o2)n1
InChIInChI=1S/C8H4BrNO2S/c9-7-2-1-6(12-7)8-10-5(3-11)4-13-8/h1-4H
InChIKeyCOBQBHKWUBMEEY-UHFFFAOYSA-N
MW258.10 g/mol
LogP2.98
Rot. Bonds2

About 2-(5-bromofuran-2-yl)-1,3-thiazole-4-carbaldehyde

2-(5-bromofuran-2-yl)-1,3-thiazole-4-carbaldehyde (PubChem CID 60998358) has the molecular formula C8H4BrNO2S and a molecular weight of 258.10 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)-1,3-thiazole-4-carbaldehyde
PubChem CID60998358
Molecular FormulaC8H4BrNO2S
Molecular Weight258.10 g/mol
Exact Mass256.91
IUPAC Name2-(5-bromofuran-2-yl)-1,3-thiazole-4-carbaldehyde
SMILESO=Cc1csc(-c2ccc(Br)o2)n1
InChIInChI=1S/C8H4BrNO2S/c9-7-2-1-6(12-7)8-10-5(3-11)4-13-8/h1-4H
InChIKeyCOBQBHKWUBMEEY-UHFFFAOYSA-N
XLogP2.98
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.10
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-(5-bromofuran-2-yl)-1,3-thiazole-4-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(5-bromofuran-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 115089119
ethyl 2-(5-bromofuran-2-yl)-1,3-thiazole-4-carboxylate
CID 115280369
2-[2-(5-bromofuran-2-yl)-1,3-thiazol-4-yl]propan-1-amine
CID 115089098
4-(5-bromofuran-2-yl)-2-(2-bromophenyl)-1,3-thiazole
CID 104654186
4-(5-bromofuran-2-yl)-2-(4-bromophenyl)-1,3-thiazole
CID 113437726
2-(4-chlorophenyl)-1,3-thiazole-4-carbaldehyde
CID 2115215
4-[4-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]phenol
CID 136907983
2-(4-tert-butylphenyl)-1,3-thiazole-4-carbaldehyde
CID 60998486
4-[4-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]benzoic acid
CID 104653593
2-(1,3-benzodioxol-5-yl)-1,3-thiazole-4-carbaldehyde
CID 50990810
2-(2,5-difluorophenyl)-1,3-thiazole-4-carbaldehyde
CID 63663256
2-(3-aminophenyl)-1,3-thiazole-4-carbaldehyde
CID 45480208

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-2-yl)-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 2-(5-bromofuran-2-yl)-1,3-thiazole-4-carbaldehyde (CID 60998358) is 2-(5-bromofuran-2-yl)-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 2-(5-bromofuran-2-yl)-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 2-(5-bromofuran-2-yl)-1,3-thiazole-4-carbaldehyde is O=Cc1csc(-c2ccc(Br)o2)n1.
What is the InChIKey of 2-(5-bromofuran-2-yl)-1,3-thiazole-4-carbaldehyde?
The InChIKey is COBQBHKWUBMEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrNO2S/c9-7-2-1-6(12-7)8-10-5(3-11)4-13-8/h1-4H.
What are the key properties of 2-(5-bromofuran-2-yl)-1,3-thiazole-4-carbaldehyde?
2-(5-bromofuran-2-yl)-1,3-thiazole-4-carbaldehyde has a molecular weight of 258.10 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-2-yl)-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 60998358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).