[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]boronic acid

C10H7BF3NO2S — CID 67451682

IUPAC[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]boronic acid
SMILESOB(O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C10H7BF3NO2S/c12-10(13,14)7-3-1-6(2-4-7)9-15-5-8(18-9)11(16)17/h1-5,16-17H
InChIKeyWYRUVGLOBMXCGW-UHFFFAOYSA-N
MW273.04 g/mol
LogP1.51
Rot. Bonds2

About [2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]boronic acid

[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]boronic acid (PubChem CID 67451682) has the molecular formula C10H7BF3NO2S and a molecular weight of 273.04 g/mol. Its IUPAC name is [2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]boronic acid.

Molecular Properties

Compound Name[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]boronic acid
PubChem CID67451682
Molecular FormulaC10H7BF3NO2S
Molecular Weight273.04 g/mol
Exact Mass273.02
IUPAC Name[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]boronic acid
SMILESOB(O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C10H7BF3NO2S/c12-10(13,14)7-3-1-6(2-4-7)9-15-5-8(18-9)11(16)17/h1-5,16-17H
InChIKeyWYRUVGLOBMXCGW-UHFFFAOYSA-N
XLogP1.51
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.04
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]boronic acid 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 [2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]boronic acid?
The IUPAC name of [2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]boronic acid (CID 67451682) is [2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]boronic acid.
What is the SMILES notation for [2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]boronic acid?
The canonical SMILES for [2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]boronic acid is OB(O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1.
What is the InChIKey of [2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]boronic acid?
The InChIKey is WYRUVGLOBMXCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BF3NO2S/c12-10(13,14)7-3-1-6(2-4-7)9-15-5-8(18-9)11(16)17/h1-5,16-17H.
What are the key properties of [2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]boronic acid?
[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]boronic acid has a molecular weight of 273.04 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]boronic acid is sourced from PubChem (CID 67451682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).