2-[2-(difluoromethoxy)-5-fluoro-3-pyridinyl]-1,3-thiazole-5-carbaldehyde

C10H5F3N2O2S — CID 178133864

IUPAC2-[2-(difluoromethoxy)-5-fluoro-3-pyridinyl]-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(-c2cc(F)cnc2OC(F)F)s1
InChIInChI=1S/C10H5F3N2O2S/c11-5-1-7(8(14-2-5)17-10(12)13)9-15-3-6(4-16)18-9/h1-4,10H
InChIKeyQGOBAMBJZWFCHE-UHFFFAOYSA-N
MW274.22 g/mol
LogP2.76
Rot. Bonds4

About 2-[2-(difluoromethoxy)-5-fluoro-3-pyridinyl]-1,3-thiazole-5-carbaldehyde

2-[2-(difluoromethoxy)-5-fluoro-3-pyridinyl]-1,3-thiazole-5-carbaldehyde (PubChem CID 178133864) has the molecular formula C10H5F3N2O2S and a molecular weight of 274.22 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)-5-fluoro-3-pyridinyl]-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)-5-fluoro-3-pyridinyl]-1,3-thiazole-5-carbaldehyde
PubChem CID178133864
Molecular FormulaC10H5F3N2O2S
Molecular Weight274.22 g/mol
Exact Mass274.00
IUPAC Name2-[2-(difluoromethoxy)-5-fluoro-3-pyridinyl]-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(-c2cc(F)cnc2OC(F)F)s1
InChIInChI=1S/C10H5F3N2O2S/c11-5-1-7(8(14-2-5)17-10(12)13)9-15-3-6(4-16)18-9/h1-4,10H
InChIKeyQGOBAMBJZWFCHE-UHFFFAOYSA-N
XLogP2.76
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.22
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(difluoromethoxy)-5-fluoro-3-pyridinyl]-4-methyl-1,3-thiazole-5-carbaldehyde
CID 178133988
2-[2-(difluoromethoxy)-4,5-difluorophenyl]-1,3-thiazole-5-carbaldehyde
CID 178133496
2-(2-bromo-4-fluorophenyl)-1,3-thiazole-5-carbaldehyde
CID 107281187
2-[3-(difluoromethoxy)thiophen-2-yl]-1,3-thiazole-5-carbaldehyde
CID 178133316
2-(2,6-difluorophenyl)-1,3-thiazole-5-carbaldehyde
CID 58504235
2-(2,5-dichlorothiophen-3-yl)-1,3-thiazole-5-carbaldehyde
CID 130655979
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-(4-methylpyrimidin-5-yl)-1,3-thiazole-5-carbaldehyde
CID 130941438
2-(2-ethoxy-5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazole-5-carbaldehyde
CID 178132863
2-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbaldehyde
CID 113291987
2-(difluoromethoxy)-5-fluoropyridine-3-carbohydrazide
CID 171547928

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)-5-fluoro-3-pyridinyl]-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-[2-(difluoromethoxy)-5-fluoro-3-pyridinyl]-1,3-thiazole-5-carbaldehyde (CID 178133864) is 2-[2-(difluoromethoxy)-5-fluoro-3-pyridinyl]-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-[2-(difluoromethoxy)-5-fluoro-3-pyridinyl]-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-[2-(difluoromethoxy)-5-fluoro-3-pyridinyl]-1,3-thiazole-5-carbaldehyde is O=Cc1cnc(-c2cc(F)cnc2OC(F)F)s1.
What is the InChIKey of 2-[2-(difluoromethoxy)-5-fluoro-3-pyridinyl]-1,3-thiazole-5-carbaldehyde?
The InChIKey is QGOBAMBJZWFCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3N2O2S/c11-5-1-7(8(14-2-5)17-10(12)13)9-15-3-6(4-16)18-9/h1-4,10H.
What are the key properties of 2-[2-(difluoromethoxy)-5-fluoro-3-pyridinyl]-1,3-thiazole-5-carbaldehyde?
2-[2-(difluoromethoxy)-5-fluoro-3-pyridinyl]-1,3-thiazole-5-carbaldehyde has a molecular weight of 274.22 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxy)-5-fluoro-3-pyridinyl]-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 178133864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).