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

C11H6F3NO2S — CID 122477199

IUPAC3-[4-(trifluoromethoxy)phenyl]-1,2-thiazole-4-carbaldehyde
SMILESO=Cc1csnc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H6F3NO2S/c12-11(13,14)17-9-3-1-7(2-4-9)10-8(5-16)6-18-15-10/h1-6H
InChIKeyRHQJMVBMPBIWEU-UHFFFAOYSA-N
MW273.24 g/mol
LogP3.52
Rot. Bonds3

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

3-[4-(trifluoromethoxy)phenyl]-1,2-thiazole-4-carbaldehyde (PubChem CID 122477199) has the molecular formula C11H6F3NO2S and a molecular weight of 273.24 g/mol. Its IUPAC name is 3-[4-(trifluoromethoxy)phenyl]-1,2-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name3-[4-(trifluoromethoxy)phenyl]-1,2-thiazole-4-carbaldehyde
PubChem CID122477199
Molecular FormulaC11H6F3NO2S
Molecular Weight273.24 g/mol
Exact Mass273.01
IUPAC Name3-[4-(trifluoromethoxy)phenyl]-1,2-thiazole-4-carbaldehyde
SMILESO=Cc1csnc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H6F3NO2S/c12-11(13,14)17-9-3-1-7(2-4-9)10-8(5-16)6-18-15-10/h1-6H
InChIKeyRHQJMVBMPBIWEU-UHFFFAOYSA-N
XLogP3.52
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(trifluoromethoxy)phenyl]pyridine-3-carbaldehyde
CID 118819959
2,5-bis[4-(trifluoromethoxy)phenyl]benzaldehyde
CID 162538499
5,6-bis[4-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde
CID 134629132
4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzaldehyde
CID 134627713
4-[4-(trifluoromethoxy)phenyl]naphthalene-1-carbaldehyde
CID 171127397
5-chloro-2-[4-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde
CID 134629495
3-[4-(trifluoromethoxy)phenyl]thiophene-2-carbaldehyde
CID 23063720
3-(4-methylsulfonylphenyl)-1-[4-(trifluoromethoxy)phenyl]pyrazole-4-carbaldehyde
CID 166792040
2,6-difluoro-4-[4-(trifluoromethoxy)phenyl]benzaldehyde
CID 175684292
2-fluoro-4-[5-[1-[4-(trifluoromethoxy)phenoxy]ethyl]-1,2-thiazol-3-yl]benzaldehyde
CID 144956625
methane;4-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]benzaldehyde
CID 143849528
CID 89165379
CID 89165379

Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethoxy)phenyl]-1,2-thiazole-4-carbaldehyde?
The IUPAC name of 3-[4-(trifluoromethoxy)phenyl]-1,2-thiazole-4-carbaldehyde (CID 122477199) is 3-[4-(trifluoromethoxy)phenyl]-1,2-thiazole-4-carbaldehyde.
What is the SMILES notation for 3-[4-(trifluoromethoxy)phenyl]-1,2-thiazole-4-carbaldehyde?
The canonical SMILES for 3-[4-(trifluoromethoxy)phenyl]-1,2-thiazole-4-carbaldehyde is O=Cc1csnc1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 3-[4-(trifluoromethoxy)phenyl]-1,2-thiazole-4-carbaldehyde?
The InChIKey is RHQJMVBMPBIWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3NO2S/c12-11(13,14)17-9-3-1-7(2-4-9)10-8(5-16)6-18-15-10/h1-6H.
What are the key properties of 3-[4-(trifluoromethoxy)phenyl]-1,2-thiazole-4-carbaldehyde?
3-[4-(trifluoromethoxy)phenyl]-1,2-thiazole-4-carbaldehyde has a molecular weight of 273.24 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethoxy)phenyl]-1,2-thiazole-4-carbaldehyde is sourced from PubChem (CID 122477199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).