3-(4-fluoro-2-iodophenyl)-1,2-thiazole-4-carbaldehyde

C10H5FINOS — CID 163771341

IUPAC3-(4-fluoro-2-iodophenyl)-1,2-thiazole-4-carbaldehyde
SMILESO=Cc1csnc1-c1ccc(F)cc1I
InChIInChI=1S/C10H5FINOS/c11-7-1-2-8(9(12)3-7)10-6(4-14)5-15-13-10/h1-5H
InChIKeyMGRUKNNEIOBRSL-UHFFFAOYSA-N
MW333.13 g/mol
LogP3.37
Rot. Bonds2

About 3-(4-fluoro-2-iodophenyl)-1,2-thiazole-4-carbaldehyde

3-(4-fluoro-2-iodophenyl)-1,2-thiazole-4-carbaldehyde (PubChem CID 163771341) has the molecular formula C10H5FINOS and a molecular weight of 333.13 g/mol. Its IUPAC name is 3-(4-fluoro-2-iodophenyl)-1,2-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name3-(4-fluoro-2-iodophenyl)-1,2-thiazole-4-carbaldehyde
PubChem CID163771341
Molecular FormulaC10H5FINOS
Molecular Weight333.13 g/mol
Exact Mass332.91
IUPAC Name3-(4-fluoro-2-iodophenyl)-1,2-thiazole-4-carbaldehyde
SMILESO=Cc1csnc1-c1ccc(F)cc1I
InChIInChI=1S/C10H5FINOS/c11-7-1-2-8(9(12)3-7)10-6(4-14)5-15-13-10/h1-5H
InChIKeyMGRUKNNEIOBRSL-UHFFFAOYSA-N
XLogP3.37
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.13
LogP ≤ 53.37
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 3-(4-fluoro-2-iodophenyl)-1,2-thiazole-4-carbaldehyde?
The IUPAC name of 3-(4-fluoro-2-iodophenyl)-1,2-thiazole-4-carbaldehyde (CID 163771341) is 3-(4-fluoro-2-iodophenyl)-1,2-thiazole-4-carbaldehyde.
What is the SMILES notation for 3-(4-fluoro-2-iodophenyl)-1,2-thiazole-4-carbaldehyde?
The canonical SMILES for 3-(4-fluoro-2-iodophenyl)-1,2-thiazole-4-carbaldehyde is O=Cc1csnc1-c1ccc(F)cc1I.
What is the InChIKey of 3-(4-fluoro-2-iodophenyl)-1,2-thiazole-4-carbaldehyde?
The InChIKey is MGRUKNNEIOBRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5FINOS/c11-7-1-2-8(9(12)3-7)10-6(4-14)5-15-13-10/h1-5H.
What are the key properties of 3-(4-fluoro-2-iodophenyl)-1,2-thiazole-4-carbaldehyde?
3-(4-fluoro-2-iodophenyl)-1,2-thiazole-4-carbaldehyde has a molecular weight of 333.13 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-2-iodophenyl)-1,2-thiazole-4-carbaldehyde is sourced from PubChem (CID 163771341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).