5-iodo-1,3-thiazole-2-carbaldehyde

C4H2INOS — CID 66223256

IUPAC5-iodo-1,3-thiazole-2-carbaldehyde
SMILESO=Cc1ncc(I)s1
InChIInChI=1S/C4H2INOS/c5-3-1-6-4(2-7)8-3/h1-2H
InChIKeySMIRJKYJGSAUNO-UHFFFAOYSA-N
MW239.04 g/mol
LogP1.56
Rot. Bonds1

About 5-iodo-1,3-thiazole-2-carbaldehyde

5-iodo-1,3-thiazole-2-carbaldehyde (PubChem CID 66223256) has the molecular formula C4H2INOS and a molecular weight of 239.04 g/mol. Its IUPAC name is 5-iodo-1,3-thiazole-2-carbaldehyde.

Molecular Properties

Compound Name5-iodo-1,3-thiazole-2-carbaldehyde
PubChem CID66223256
Molecular FormulaC4H2INOS
Molecular Weight239.04 g/mol
Exact Mass238.89
IUPAC Name5-iodo-1,3-thiazole-2-carbaldehyde
SMILESO=Cc1ncc(I)s1
InChIInChI=1S/C4H2INOS/c5-3-1-6-4(2-7)8-3/h1-2H
InChIKeySMIRJKYJGSAUNO-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'}

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-1,3-thiazole-2-carbaldehyde?
The IUPAC name of 5-iodo-1,3-thiazole-2-carbaldehyde (CID 66223256) is 5-iodo-1,3-thiazole-2-carbaldehyde.
What is the SMILES notation for 5-iodo-1,3-thiazole-2-carbaldehyde?
The canonical SMILES for 5-iodo-1,3-thiazole-2-carbaldehyde is O=Cc1ncc(I)s1.
What is the InChIKey of 5-iodo-1,3-thiazole-2-carbaldehyde?
The InChIKey is SMIRJKYJGSAUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2INOS/c5-3-1-6-4(2-7)8-3/h1-2H.
What are the key properties of 5-iodo-1,3-thiazole-2-carbaldehyde?
5-iodo-1,3-thiazole-2-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 5-iodo-1,3-thiazole-2-carbaldehyde is sourced from PubChem (CID 66223256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).