3-hydroxy-2-(2-phenyl-1,3-thiazol-5-yl)-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile

C19H11F3N2OS — CID 141428930

IUPAC3-hydroxy-2-(2-phenyl-1,3-thiazol-5-yl)-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile
SMILESN#CC(=C(O)c1ccccc1C(F)(F)F)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C19H11F3N2OS/c20-19(21,22)15-9-5-4-8-13(15)17(25)14(10-23)16-11-24-18(26-16)12-6-2-1-3-7-12/h1-9,11,25H
InChIKeySTBYHXVWAGZWTD-UHFFFAOYSA-N
MW372.37 g/mol
LogP5.78
Rot. Bonds3

About 3-hydroxy-2-(2-phenyl-1,3-thiazol-5-yl)-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile

3-hydroxy-2-(2-phenyl-1,3-thiazol-5-yl)-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile (PubChem CID 141428930) has the molecular formula C19H11F3N2OS and a molecular weight of 372.37 g/mol. Its IUPAC name is 3-hydroxy-2-(2-phenyl-1,3-thiazol-5-yl)-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile.

Molecular Properties

Compound Name3-hydroxy-2-(2-phenyl-1,3-thiazol-5-yl)-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile
PubChem CID141428930
Molecular FormulaC19H11F3N2OS
Molecular Weight372.37 g/mol
Exact Mass372.05
IUPAC Name3-hydroxy-2-(2-phenyl-1,3-thiazol-5-yl)-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile
SMILESN#CC(=C(O)c1ccccc1C(F)(F)F)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C19H11F3N2OS/c20-19(21,22)15-9-5-4-8-13(15)17(25)14(10-23)16-11-24-18(26-16)12-6-2-1-3-7-12/h1-9,11,25H
InChIKeySTBYHXVWAGZWTD-UHFFFAOYSA-N
XLogP5.78
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.37
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

Analyze 3-hydroxy-2-(2-phenyl-1,3-thiazol-5-yl)-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile 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 3-hydroxy-2-(2-phenyl-1,3-thiazol-5-yl)-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile?
The IUPAC name of 3-hydroxy-2-(2-phenyl-1,3-thiazol-5-yl)-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile (CID 141428930) is 3-hydroxy-2-(2-phenyl-1,3-thiazol-5-yl)-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile.
What is the SMILES notation for 3-hydroxy-2-(2-phenyl-1,3-thiazol-5-yl)-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile?
The canonical SMILES for 3-hydroxy-2-(2-phenyl-1,3-thiazol-5-yl)-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile is N#CC(=C(O)c1ccccc1C(F)(F)F)c1cnc(-c2ccccc2)s1.
What is the InChIKey of 3-hydroxy-2-(2-phenyl-1,3-thiazol-5-yl)-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile?
The InChIKey is STBYHXVWAGZWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F3N2OS/c20-19(21,22)15-9-5-4-8-13(15)17(25)14(10-23)16-11-24-18(26-16)12-6-2-1-3-7-12/h1-9,11,25H.
What are the key properties of 3-hydroxy-2-(2-phenyl-1,3-thiazol-5-yl)-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile?
3-hydroxy-2-(2-phenyl-1,3-thiazol-5-yl)-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile has a molecular weight of 372.37 g/mol, XLogP of 5.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(2-phenyl-1,3-thiazol-5-yl)-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile is sourced from PubChem (CID 141428930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).