2-[2-(difluoromethoxy)-5-fluoro-3-pyridinyl]-4-methyl-1,3-thiazole-5-carbaldehyde

C11H7F3N2O2S — CID 178133988

IUPAC2-[2-(difluoromethoxy)-5-fluoro-3-pyridinyl]-4-methyl-1,3-thiazole-5-carbaldehyde
SMILESCc1nc(-c2cc(F)cnc2OC(F)F)sc1C=O
InChIInChI=1S/C11H7F3N2O2S/c1-5-8(4-17)19-10(16-5)7-2-6(12)3-15-9(7)18-11(13)14/h2-4,11H,1H3
InChIKeyUZVHEGRGSCBPIW-UHFFFAOYSA-N
MW288.25 g/mol
LogP3.07
Rot. Bonds4

About 2-[2-(difluoromethoxy)-5-fluoro-3-pyridinyl]-4-methyl-1,3-thiazole-5-carbaldehyde

2-[2-(difluoromethoxy)-5-fluoro-3-pyridinyl]-4-methyl-1,3-thiazole-5-carbaldehyde (PubChem CID 178133988) has the molecular formula C11H7F3N2O2S and a molecular weight of 288.25 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)-5-fluoro-3-pyridinyl]-4-methyl-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)-5-fluoro-3-pyridinyl]-4-methyl-1,3-thiazole-5-carbaldehyde
PubChem CID178133988
Molecular FormulaC11H7F3N2O2S
Molecular Weight288.25 g/mol
Exact Mass288.02
IUPAC Name2-[2-(difluoromethoxy)-5-fluoro-3-pyridinyl]-4-methyl-1,3-thiazole-5-carbaldehyde
SMILESCc1nc(-c2cc(F)cnc2OC(F)F)sc1C=O
InChIInChI=1S/C11H7F3N2O2S/c1-5-8(4-17)19-10(16-5)7-2-6(12)3-15-9(7)18-11(13)14/h2-4,11H,1H3
InChIKeyUZVHEGRGSCBPIW-UHFFFAOYSA-N
XLogP3.07
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 53.07
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-ethoxy-5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazole-5-carbaldehyde
CID 178132863
2-[2-(difluoromethoxy)-5-fluoro-3-pyridinyl]-1,3-thiazole-5-carbaldehyde
CID 178133864
3-(difluoromethoxy)-2-(5-formyl-4-methyl-1,3-thiazol-2-yl)benzonitrile
CID 178133078
2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbaldehyde
CID 131616366
4-methyl-2-(2,3,4-trimethylphenyl)-1,3-thiazole-5-carbaldehyde
CID 116885687
2-(2-bromo-4-methylphenyl)-4-methyl-1,3-thiazole-5-carbaldehyde
CID 131566329
4-methyl-2-(4-methylsulfanylphenyl)-1,3-thiazole-5-carbaldehyde
CID 116885669
2-[2-(difluoromethoxy)-4,5-difluorophenyl]-1,3-thiazole-5-carbaldehyde
CID 178133496
2-(difluoromethoxy)-5-fluoropyridine-3-carbohydrazide
CID 171547928
5-fluoro-3-methyl-2-propan-2-yloxypyridine
CID 130057948
3-(difluoromethoxy)-5-methylpyridine-2-carbaldehyde
CID 174808071
4-methyl-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-thiazole-5-carbaldehyde
CID 115003475

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)-5-fluoro-3-pyridinyl]-4-methyl-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-[2-(difluoromethoxy)-5-fluoro-3-pyridinyl]-4-methyl-1,3-thiazole-5-carbaldehyde (CID 178133988) is 2-[2-(difluoromethoxy)-5-fluoro-3-pyridinyl]-4-methyl-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-[2-(difluoromethoxy)-5-fluoro-3-pyridinyl]-4-methyl-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-[2-(difluoromethoxy)-5-fluoro-3-pyridinyl]-4-methyl-1,3-thiazole-5-carbaldehyde is Cc1nc(-c2cc(F)cnc2OC(F)F)sc1C=O.
What is the InChIKey of 2-[2-(difluoromethoxy)-5-fluoro-3-pyridinyl]-4-methyl-1,3-thiazole-5-carbaldehyde?
The InChIKey is UZVHEGRGSCBPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O2S/c1-5-8(4-17)19-10(16-5)7-2-6(12)3-15-9(7)18-11(13)14/h2-4,11H,1H3.
What are the key properties of 2-[2-(difluoromethoxy)-5-fluoro-3-pyridinyl]-4-methyl-1,3-thiazole-5-carbaldehyde?
2-[2-(difluoromethoxy)-5-fluoro-3-pyridinyl]-4-methyl-1,3-thiazole-5-carbaldehyde has a molecular weight of 288.25 g/mol, XLogP of 3.07, 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]-4-methyl-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 178133988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).