2-(2,6-difluoro-4-formylphenyl)-1,3-thiazole-4-carbaldehyde

C11H5F2NO2S — CID 143858625

IUPAC2-(2,6-difluoro-4-formylphenyl)-1,3-thiazole-4-carbaldehyde
SMILESO=Cc1cc(F)c(-c2nc(C=O)cs2)c(F)c1
InChIInChI=1S/C11H5F2NO2S/c12-8-1-6(3-15)2-9(13)10(8)11-14-7(4-16)5-17-11/h1-5H
InChIKeyULVXNKNNEFVKTG-UHFFFAOYSA-N
MW253.23 g/mol
LogP2.71
Rot. Bonds3

About 2-(2,6-difluoro-4-formylphenyl)-1,3-thiazole-4-carbaldehyde

2-(2,6-difluoro-4-formylphenyl)-1,3-thiazole-4-carbaldehyde (PubChem CID 143858625) has the molecular formula C11H5F2NO2S and a molecular weight of 253.23 g/mol. Its IUPAC name is 2-(2,6-difluoro-4-formylphenyl)-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name2-(2,6-difluoro-4-formylphenyl)-1,3-thiazole-4-carbaldehyde
PubChem CID143858625
Molecular FormulaC11H5F2NO2S
Molecular Weight253.23 g/mol
Exact Mass253.00
IUPAC Name2-(2,6-difluoro-4-formylphenyl)-1,3-thiazole-4-carbaldehyde
SMILESO=Cc1cc(F)c(-c2nc(C=O)cs2)c(F)c1
InChIInChI=1S/C11H5F2NO2S/c12-8-1-6(3-15)2-9(13)10(8)11-14-7(4-16)5-17-11/h1-5H
InChIKeyULVXNKNNEFVKTG-UHFFFAOYSA-N
XLogP2.71
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-difluorophenyl)-1,3-thiazole-4-carbaldehyde
CID 63663256
2-(3-chloro-4-fluorophenyl)-1,3-thiazole-4-carbaldehyde
CID 63092785
2-(4-chlorophenyl)-1,3-thiazole-4-carbaldehyde
CID 2115215
2-(3-aminophenyl)-1,3-thiazole-4-carbaldehyde
CID 45480208
2-(4,5-dimethoxy-2-methylphenyl)-1,3-thiazole-4-carbaldehyde
CID 116889414
2-(4-methyl-2-pyridinyl)-1,3-thiazole-4-carbaldehyde
CID 63841527
2-(4-tert-butylphenyl)-1,3-thiazole-4-carbaldehyde
CID 60998486
2-(1,3-benzodioxol-5-yl)-1,3-thiazole-4-carbaldehyde
CID 50990810
2-(5-bromofuran-2-yl)-1,3-thiazole-4-carbaldehyde
CID 60998358
2-(2-ethyl-4-pyridinyl)-1,3-thiazole-4-carbaldehyde
CID 91664700
2-(3-methoxyphenyl)-1,3-thiazole-4-carbaldehyde
CID 2117534
2-(2-methylpyrimidin-4-yl)-1,3-thiazole-4-carbaldehyde
CID 115528201

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoro-4-formylphenyl)-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 2-(2,6-difluoro-4-formylphenyl)-1,3-thiazole-4-carbaldehyde (CID 143858625) is 2-(2,6-difluoro-4-formylphenyl)-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 2-(2,6-difluoro-4-formylphenyl)-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 2-(2,6-difluoro-4-formylphenyl)-1,3-thiazole-4-carbaldehyde is O=Cc1cc(F)c(-c2nc(C=O)cs2)c(F)c1.
What is the InChIKey of 2-(2,6-difluoro-4-formylphenyl)-1,3-thiazole-4-carbaldehyde?
The InChIKey is ULVXNKNNEFVKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F2NO2S/c12-8-1-6(3-15)2-9(13)10(8)11-14-7(4-16)5-17-11/h1-5H.
What are the key properties of 2-(2,6-difluoro-4-formylphenyl)-1,3-thiazole-4-carbaldehyde?
2-(2,6-difluoro-4-formylphenyl)-1,3-thiazole-4-carbaldehyde has a molecular weight of 253.23 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluoro-4-formylphenyl)-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 143858625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).