2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazole-4-carbaldehyde

C13H8F3NOS — CID 122447297

IUPAC2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazole-4-carbaldehyde
SMILESO=Cc1csc(/C=C/c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C13H8F3NOS/c14-13(15,16)10-3-1-2-9(6-10)4-5-12-17-11(7-18)8-19-12/h1-8H/b5-4+
InChIKeyHSNLYRZOOPYING-SNAWJCMRSA-N
MW283.27 g/mol
LogP4.14
Rot. Bonds3

About 2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazole-4-carbaldehyde

2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazole-4-carbaldehyde (PubChem CID 122447297) has the molecular formula C13H8F3NOS and a molecular weight of 283.27 g/mol. Its IUPAC name is 2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazole-4-carbaldehyde
PubChem CID122447297
Molecular FormulaC13H8F3NOS
Molecular Weight283.27 g/mol
Exact Mass283.03
IUPAC Name2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazole-4-carbaldehyde
SMILESO=Cc1csc(/C=C/c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C13H8F3NOS/c14-13(15,16)10-3-1-2-9(6-10)4-5-12-17-11(7-18)8-19-12/h1-8H/b5-4+
InChIKeyHSNLYRZOOPYING-SNAWJCMRSA-N
XLogP4.14
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazole-4-carbaldehyde (CID 122447297) is 2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazole-4-carbaldehyde is O=Cc1csc(/C=C/c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazole-4-carbaldehyde?
The InChIKey is HSNLYRZOOPYING-SNAWJCMRSA-N. The full InChI is InChI=1S/C13H8F3NOS/c14-13(15,16)10-3-1-2-9(6-10)4-5-12-17-11(7-18)8-19-12/h1-8H/b5-4+.
What are the key properties of 2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazole-4-carbaldehyde?
2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazole-4-carbaldehyde has a molecular weight of 283.27 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 122447297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).