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

C11H6F3NOS — CID 122477411

IUPAC3-[4-(trifluoromethyl)phenyl]-1,2-thiazole-5-carbaldehyde
SMILESO=Cc1cc(-c2ccc(C(F)(F)F)cc2)ns1
InChIInChI=1S/C11H6F3NOS/c12-11(13,14)8-3-1-7(2-4-8)10-5-9(6-16)17-15-10/h1-6H
InChIKeyNATGIDVMNOKYIW-UHFFFAOYSA-N
MW257.24 g/mol
LogP3.64
Rot. Bonds2

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

3-[4-(trifluoromethyl)phenyl]-1,2-thiazole-5-carbaldehyde (PubChem CID 122477411) 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-5-carbaldehyde.

Molecular Properties

Compound Name3-[4-(trifluoromethyl)phenyl]-1,2-thiazole-5-carbaldehyde
PubChem CID122477411
Molecular FormulaC11H6F3NOS
Molecular Weight257.24 g/mol
Exact Mass257.01
IUPAC Name3-[4-(trifluoromethyl)phenyl]-1,2-thiazole-5-carbaldehyde
SMILESO=Cc1cc(-c2ccc(C(F)(F)F)cc2)ns1
InChIInChI=1S/C11H6F3NOS/c12-11(13,14)8-3-1-7(2-4-8)10-5-9(6-16)17-15-10/h1-6H
InChIKeyNATGIDVMNOKYIW-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

2,1-Benzothiazole-3-carbaldehyde
CID 53865043
Benzaldehyde, 3-(3-methyl-5-isothiazolyl)-
CID 75175940
Methanone, phenyl(3-phenyl-5-isothiazolyl)-
CID 10934374
1-(4-Fluorophenyl)-2-[3-(trifluoromethyl)-1,2-thiazol-5-yl]ethanone
CID 15239216
1-[4-(Trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)-1,2-thiazol-5-yl]ethanone
CID 15239217
2-(4-Fluorophenyl)-1-[3-(trifluoromethyl)-1,2-thiazol-5-yl]ethanone
CID 57070651
3-[4-(Trifluoromethyl)phenyl]-1,2-thiazole-4-carbaldehyde
CID 122477201
2-Fluoro-3-(1,2-thiazol-3-yl)benzaldehyde
CID 130922532
1-[3-(4-Ethylphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]propan-1-one
CID 134444726
1-[3-Phenyl-4-(trifluoromethyl)-1,2-thiazol-5-yl]ethanone
CID 171096069
3-[(3,4,5-Trifluorophenyl)methyl]-1,2-thiazole-5-carboxamide
CID 174867024
3-Phenyl-5-(trifluoromethyl)-1,2-thiazole-4-carbaldehyde
CID 175198567

Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethyl)phenyl]-1,2-thiazole-5-carbaldehyde?
The IUPAC name of 3-[4-(trifluoromethyl)phenyl]-1,2-thiazole-5-carbaldehyde (CID 122477411) is 3-[4-(trifluoromethyl)phenyl]-1,2-thiazole-5-carbaldehyde.
What is the SMILES notation for 3-[4-(trifluoromethyl)phenyl]-1,2-thiazole-5-carbaldehyde?
The canonical SMILES for 3-[4-(trifluoromethyl)phenyl]-1,2-thiazole-5-carbaldehyde is O=Cc1cc(-c2ccc(C(F)(F)F)cc2)ns1.
What is the InChIKey of 3-[4-(trifluoromethyl)phenyl]-1,2-thiazole-5-carbaldehyde?
The InChIKey is NATGIDVMNOKYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3NOS/c12-11(13,14)8-3-1-7(2-4-8)10-5-9(6-16)17-15-10/h1-6H.
What are the key properties of 3-[4-(trifluoromethyl)phenyl]-1,2-thiazole-5-carbaldehyde?
3-[4-(trifluoromethyl)phenyl]-1,2-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 3-[4-(trifluoromethyl)phenyl]-1,2-thiazole-5-carbaldehyde is sourced from PubChem (CID 122477411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).