2-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbaldehyde

C11H5F4NOS — CID 113291987

IUPAC2-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(-c2cc(F)cc(C(F)(F)F)c2)s1
InChIInChI=1S/C11H5F4NOS/c12-8-2-6(1-7(3-8)11(13,14)15)10-16-4-9(5-17)18-10/h1-5H
InChIKeyJGCFKAOMHZCDJK-UHFFFAOYSA-N
MW275.23 g/mol
LogP3.78
Rot. Bonds2

About 2-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbaldehyde

2-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbaldehyde (PubChem CID 113291987) has the molecular formula C11H5F4NOS and a molecular weight of 275.23 g/mol. Its IUPAC name is 2-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbaldehyde
PubChem CID113291987
Molecular FormulaC11H5F4NOS
Molecular Weight275.23 g/mol
Exact Mass275.00
IUPAC Name2-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(-c2cc(F)cc(C(F)(F)F)c2)s1
InChIInChI=1S/C11H5F4NOS/c12-8-2-6(1-7(3-8)11(13,14)15)10-16-4-9(5-17)18-10/h1-5H
InChIKeyJGCFKAOMHZCDJK-UHFFFAOYSA-N
XLogP3.78
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-cyclopropylphenyl)-1,3-thiazole-5-carbaldehyde
CID 79980973
2-(1,3-benzodioxol-5-yl)-1,3-thiazole-5-carbaldehyde
CID 61282299
2-(2-bromo-4-fluorophenyl)-1,3-thiazole-5-carbaldehyde
CID 107281187
2-(5-fluoro-1H-indol-2-yl)-1,3-thiazole-5-carbaldehyde
CID 82384623
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-(5-bromo-1,3-thiazol-2-yl)-1,3-thiazole-5-carbaldehyde
CID 146635967
methyl 2-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 115350310
2-[2-(difluoromethoxy)-5-fluoro-3-pyridinyl]-1,3-thiazole-5-carbaldehyde
CID 178133864
5-[3-fluoro-5-(trifluoromethyl)phenyl]-1-benzofuran-2-carbaldehyde
CID 122476549
2-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carbaldehyde
CID 58378362
5-[3-fluoro-5-(trifluoromethyl)phenyl]-N-propyl-1,3-thiazol-2-amine
CID 116812134

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbaldehyde (CID 113291987) is 2-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbaldehyde is O=Cc1cnc(-c2cc(F)cc(C(F)(F)F)c2)s1.
What is the InChIKey of 2-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbaldehyde?
The InChIKey is JGCFKAOMHZCDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F4NOS/c12-8-2-6(1-7(3-8)11(13,14)15)10-16-4-9(5-17)18-10/h1-5H.
What are the key properties of 2-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbaldehyde?
2-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbaldehyde has a molecular weight of 275.23 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 113291987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).