2-(5-bromothiophen-2-yl)-1,3-thiazole-5-carbaldehyde

C8H4BrNOS2 — CID 61281538

IUPAC2-(5-bromothiophen-2-yl)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(-c2ccc(Br)s2)s1
InChIInChI=1S/C8H4BrNOS2/c9-7-2-1-6(13-7)8-10-3-5(4-11)12-8/h1-4H
InChIKeyUZLLCGLNGIMMRH-UHFFFAOYSA-N
MW274.16 g/mol
LogP3.45
Rot. Bonds2

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

2-(5-bromothiophen-2-yl)-1,3-thiazole-5-carbaldehyde (PubChem CID 61281538) has the molecular formula C8H4BrNOS2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1,3-thiazole-5-carbaldehyde
PubChem CID61281538
Molecular FormulaC8H4BrNOS2
Molecular Weight274.16 g/mol
Exact Mass272.89
IUPAC Name2-(5-bromothiophen-2-yl)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(-c2ccc(Br)s2)s1
InChIInChI=1S/C8H4BrNOS2/c9-7-2-1-6(13-7)8-10-3-5(4-11)12-8/h1-4H
InChIKeyUZLLCGLNGIMMRH-UHFFFAOYSA-N
XLogP3.45
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1,3-thiazole-5-carbaldehyde (CID 61281538) is 2-(5-bromothiophen-2-yl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1,3-thiazole-5-carbaldehyde is O=Cc1cnc(-c2ccc(Br)s2)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is UZLLCGLNGIMMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrNOS2/c9-7-2-1-6(13-7)8-10-3-5(4-11)12-8/h1-4H.
What are the key properties of 2-(5-bromothiophen-2-yl)-1,3-thiazole-5-carbaldehyde?
2-(5-bromothiophen-2-yl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 274.16 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 61281538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).