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

C11H6F3NOS — CID 122477201

IUPAC3-[4-(trifluoromethyl)phenyl]-1,2-thiazole-4-carbaldehyde
SMILESO=Cc1csnc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H6F3NOS/c12-11(13,14)9-3-1-7(2-4-9)10-8(5-16)6-17-15-10/h1-6H
InChIKeyQLSBAYMGUFGFIQ-UHFFFAOYSA-N
MW257.24 g/mol
LogP3.64
Rot. Bonds2

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

3-[4-(trifluoromethyl)phenyl]-1,2-thiazole-4-carbaldehyde (PubChem CID 122477201) has the molecular formula C11H6F3NOS and a molecular weight of 257.24 g/mol. Its IUPAC name is 3-[4-(trifluoromethyl)phenyl]-1,2-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name3-[4-(trifluoromethyl)phenyl]-1,2-thiazole-4-carbaldehyde
PubChem CID122477201
Molecular FormulaC11H6F3NOS
Molecular Weight257.24 g/mol
Exact Mass257.01
IUPAC Name3-[4-(trifluoromethyl)phenyl]-1,2-thiazole-4-carbaldehyde
SMILESO=Cc1csnc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H6F3NOS/c12-11(13,14)9-3-1-7(2-4-9)10-8(5-16)6-17-15-10/h1-6H
InChIKeyQLSBAYMGUFGFIQ-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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Related Compounds

CID 639115
CID 639115
CID 12440227
CID 12440227
CID 23465058
CID 23465058
CID 23465073
CID 23465073
CID 83909193
CID 83909193
CID 122477411
CID 122477411
CID 130922532
CID 130922532
CID 134444726
CID 134444726
CID 143383490
CID 143383490
CID 162692046
CID 162692046
CID 163771341
CID 163771341
CID 175198567
CID 175198567

Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethyl)phenyl]-1,2-thiazole-4-carbaldehyde?
The IUPAC name of 3-[4-(trifluoromethyl)phenyl]-1,2-thiazole-4-carbaldehyde (CID 122477201) is 3-[4-(trifluoromethyl)phenyl]-1,2-thiazole-4-carbaldehyde.
What is the SMILES notation for 3-[4-(trifluoromethyl)phenyl]-1,2-thiazole-4-carbaldehyde?
The canonical SMILES for 3-[4-(trifluoromethyl)phenyl]-1,2-thiazole-4-carbaldehyde is O=Cc1csnc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-[4-(trifluoromethyl)phenyl]-1,2-thiazole-4-carbaldehyde?
The InChIKey is QLSBAYMGUFGFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3NOS/c12-11(13,14)9-3-1-7(2-4-9)10-8(5-16)6-17-15-10/h1-6H.
What are the key properties of 3-[4-(trifluoromethyl)phenyl]-1,2-thiazole-4-carbaldehyde?
3-[4-(trifluoromethyl)phenyl]-1,2-thiazole-4-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 3-[4-(trifluoromethyl)phenyl]-1,2-thiazole-4-carbaldehyde is sourced from PubChem (CID 122477201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).