4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzaldehyde

C11H6F3NOS — CID 146422739

IUPAC4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzaldehyde
SMILESO=Cc1ccc(-c2nc(C(F)(F)F)cs2)cc1
InChIInChI=1S/C11H6F3NOS/c12-11(13,14)9-6-17-10(15-9)8-3-1-7(5-16)2-4-8/h1-6H
InChIKeyUNKWQGMGBQBTFE-UHFFFAOYSA-N
MW257.24 g/mol
LogP3.64
Rot. Bonds2

About 4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzaldehyde

4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzaldehyde (PubChem CID 146422739) has the molecular formula C11H6F3NOS and a molecular weight of 257.24 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzaldehyde.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzaldehyde
PubChem CID146422739
Molecular FormulaC11H6F3NOS
Molecular Weight257.24 g/mol
Exact Mass257.01
IUPAC Name4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzaldehyde
SMILESO=Cc1ccc(-c2nc(C(F)(F)F)cs2)cc1
InChIInChI=1S/C11H6F3NOS/c12-11(13,14)9-6-17-10(15-9)8-3-1-7(5-16)2-4-8/h1-6H
InChIKeyUNKWQGMGBQBTFE-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'}

Analyze 4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzaldehyde?
The IUPAC name of 4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzaldehyde (CID 146422739) is 4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzaldehyde.
What is the SMILES notation for 4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzaldehyde?
The canonical SMILES for 4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzaldehyde is O=Cc1ccc(-c2nc(C(F)(F)F)cs2)cc1.
What is the InChIKey of 4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzaldehyde?
The InChIKey is UNKWQGMGBQBTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3NOS/c12-11(13,14)9-6-17-10(15-9)8-3-1-7(5-16)2-4-8/h1-6H.
What are the key properties of 4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzaldehyde?
4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzaldehyde 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 4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzaldehyde is sourced from PubChem (CID 146422739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).