2-[2-(difluoromethoxy)-4,5-difluorophenyl]-1,3-thiazole-5-carbaldehyde

C11H5F4NO2S — CID 178133496

IUPAC2-[2-(difluoromethoxy)-4,5-difluorophenyl]-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(-c2cc(F)c(F)cc2OC(F)F)s1
InChIInChI=1S/C11H5F4NO2S/c12-7-1-6(10-16-3-5(4-17)19-10)9(2-8(7)13)18-11(14)15/h1-4,11H
InChIKeyOIVINIQRXTXICD-UHFFFAOYSA-N
MW291.23 g/mol
LogP3.50
Rot. Bonds4

About 2-[2-(difluoromethoxy)-4,5-difluorophenyl]-1,3-thiazole-5-carbaldehyde

2-[2-(difluoromethoxy)-4,5-difluorophenyl]-1,3-thiazole-5-carbaldehyde (PubChem CID 178133496) has the molecular formula C11H5F4NO2S and a molecular weight of 291.23 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)-4,5-difluorophenyl]-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)-4,5-difluorophenyl]-1,3-thiazole-5-carbaldehyde
PubChem CID178133496
Molecular FormulaC11H5F4NO2S
Molecular Weight291.23 g/mol
Exact Mass291.00
IUPAC Name2-[2-(difluoromethoxy)-4,5-difluorophenyl]-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(-c2cc(F)c(F)cc2OC(F)F)s1
InChIInChI=1S/C11H5F4NO2S/c12-7-1-6(10-16-3-5(4-17)19-10)9(2-8(7)13)18-11(14)15/h1-4,11H
InChIKeyOIVINIQRXTXICD-UHFFFAOYSA-N
XLogP3.50
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 53.50
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-(difluoromethoxy)-5-fluoro-3-pyridinyl]-1,3-thiazole-5-carbaldehyde
CID 178133864
[2-[2-(difluoromethoxy)-4,5-difluorophenyl]-1,3-thiazol-5-yl]methanol
CID 178132888
2-[3-(difluoromethoxy)thiophen-2-yl]-1,3-thiazole-5-carbaldehyde
CID 178133316
2-(2-propan-2-yloxyphenyl)-1,3-thiazole-5-carbaldehyde
CID 178133884
2-(2-bromo-3-fluorophenyl)-1,3-thiazole-5-carbaldehyde
CID 131162374
2-(2-bromo-4-fluorophenyl)-1,3-thiazole-5-carbaldehyde
CID 107281187
2-(4-methylpyrimidin-5-yl)-1,3-thiazole-5-carbaldehyde
CID 130941438
[2-[5-chloro-2-(difluoromethoxy)phenyl]-1,3-thiazol-5-yl]methanamine
CID 178134350
2-(difluoromethoxy)-5-fluoroterephthalaldehyde
CID 171026427
2-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbaldehyde
CID 113291987
3-(difluoromethoxy)-5-methylpyridine-2-carbaldehyde
CID 174808071
4-chloro-5-(difluoromethoxy)pyridine-2-carbaldehyde
CID 130970189

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)-4,5-difluorophenyl]-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-[2-(difluoromethoxy)-4,5-difluorophenyl]-1,3-thiazole-5-carbaldehyde (CID 178133496) is 2-[2-(difluoromethoxy)-4,5-difluorophenyl]-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-[2-(difluoromethoxy)-4,5-difluorophenyl]-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-[2-(difluoromethoxy)-4,5-difluorophenyl]-1,3-thiazole-5-carbaldehyde is O=Cc1cnc(-c2cc(F)c(F)cc2OC(F)F)s1.
What is the InChIKey of 2-[2-(difluoromethoxy)-4,5-difluorophenyl]-1,3-thiazole-5-carbaldehyde?
The InChIKey is OIVINIQRXTXICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F4NO2S/c12-7-1-6(10-16-3-5(4-17)19-10)9(2-8(7)13)18-11(14)15/h1-4,11H.
What are the key properties of 2-[2-(difluoromethoxy)-4,5-difluorophenyl]-1,3-thiazole-5-carbaldehyde?
2-[2-(difluoromethoxy)-4,5-difluorophenyl]-1,3-thiazole-5-carbaldehyde has a molecular weight of 291.23 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxy)-4,5-difluorophenyl]-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 178133496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).