2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbaldehyde

C11H6F3NOS — CID 21051240

IUPAC2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(-c2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C11H6F3NOS/c12-11(13,14)8-3-1-7(2-4-8)10-15-5-9(6-16)17-10/h1-6H
InChIKeyULPFTKOKWHCIQH-UHFFFAOYSA-N
MW257.24 g/mol
LogP3.64
Rot. Bonds2

About 2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbaldehyde

2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbaldehyde (PubChem CID 21051240) has the molecular formula C11H6F3NOS and a molecular weight of 257.24 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbaldehyde
PubChem CID21051240
Molecular FormulaC11H6F3NOS
Molecular Weight257.24 g/mol
Exact Mass257.01
IUPAC Name2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(-c2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C11H6F3NOS/c12-11(13,14)8-3-1-7(2-4-8)10-15-5-9(6-16)17-10/h1-6H
InChIKeyULPFTKOKWHCIQH-UHFFFAOYSA-N
XLogP3.64
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 53.64
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-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbaldehyde (CID 21051240) is 2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbaldehyde is O=Cc1cnc(-c2ccc(C(F)(F)F)cc2)s1.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbaldehyde?
The InChIKey is ULPFTKOKWHCIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3NOS/c12-11(13,14)8-3-1-7(2-4-8)10-15-5-9(6-16)17-10/h1-6H.
What are the key properties of 2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbaldehyde?
2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbaldehyde has a molecular weight of 257.24 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 21051240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).