4-iodo-1,3-thiazole-5-carbaldehyde

C4H2INOS — CID 167738810

IUPAC4-iodo-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1scnc1I
InChIInChI=1S/C4H2INOS/c5-4-3(1-7)8-2-6-4/h1-2H
InChIKeyYGOOABZSWGHYKG-UHFFFAOYSA-N
MW239.04 g/mol
LogP1.56
Rot. Bonds1

About 4-iodo-1,3-thiazole-5-carbaldehyde

4-iodo-1,3-thiazole-5-carbaldehyde (PubChem CID 167738810) has the molecular formula C4H2INOS and a molecular weight of 239.04 g/mol. Its IUPAC name is 4-iodo-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-iodo-1,3-thiazole-5-carbaldehyde
PubChem CID167738810
Molecular FormulaC4H2INOS
Molecular Weight239.04 g/mol
Exact Mass238.89
IUPAC Name4-iodo-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1scnc1I
InChIInChI=1S/C4H2INOS/c5-4-3(1-7)8-2-6-4/h1-2H
InChIKeyYGOOABZSWGHYKG-UHFFFAOYSA-N
XLogP1.56
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.04
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-iodo-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 4-iodo-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-iodo-1,3-thiazole-5-carbaldehyde (CID 167738810) is 4-iodo-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-iodo-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-iodo-1,3-thiazole-5-carbaldehyde is O=Cc1scnc1I.
What is the InChIKey of 4-iodo-1,3-thiazole-5-carbaldehyde?
The InChIKey is YGOOABZSWGHYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2INOS/c5-4-3(1-7)8-2-6-4/h1-2H.
What are the key properties of 4-iodo-1,3-thiazole-5-carbaldehyde?
4-iodo-1,3-thiazole-5-carbaldehyde has a molecular weight of 239.04 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 167738810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).