[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-[3-(trifluoromethyl)phenyl]methanone

C22H15F3N2OS — CID 71713465

IUPAC[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)N1CCc2nc(C#Cc3ccccc3)sc2C1
InChIInChI=1S/C22H15F3N2OS/c23-22(24,25)17-8-4-7-16(13-17)21(28)27-12-11-18-19(14-27)29-20(26-18)10-9-15-5-2-1-3-6-15/h1-8,13H,11-12,14H2
InChIKeyOUZVGUUGYNPMTH-UHFFFAOYSA-N
MW412.44 g/mol
LogP4.76
Rot. Bonds1

About [2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-[3-(trifluoromethyl)phenyl]methanone

[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 71713465) has the molecular formula C22H15F3N2OS and a molecular weight of 412.44 g/mol. Its IUPAC name is [2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-[3-(trifluoromethyl)phenyl]methanone
PubChem CID71713465
Molecular FormulaC22H15F3N2OS
Molecular Weight412.44 g/mol
Exact Mass412.09
IUPAC Name[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)N1CCc2nc(C#Cc3ccccc3)sc2C1
InChIInChI=1S/C22H15F3N2OS/c23-22(24,25)17-8-4-7-16(13-17)21(28)27-12-11-18-19(14-27)29-20(26-18)10-9-15-5-2-1-3-6-15/h1-8,13H,11-12,14H2
InChIKeyOUZVGUUGYNPMTH-UHFFFAOYSA-N
XLogP4.76
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-[3-(trifluoromethyl)phenyl]methanone 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-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-[3-(trifluoromethyl)phenyl]methanone (CID 71713465) is [2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-[3-(trifluoromethyl)phenyl]methanone is O=C(c1cccc(C(F)(F)F)c1)N1CCc2nc(C#Cc3ccccc3)sc2C1.
What is the InChIKey of [2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is OUZVGUUGYNPMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N2OS/c23-22(24,25)17-8-4-7-16(13-17)21(28)27-12-11-18-19(14-27)29-20(26-18)10-9-15-5-2-1-3-6-15/h1-8,13H,11-12,14H2.
What are the key properties of [2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-[3-(trifluoromethyl)phenyl]methanone?
[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 412.44 g/mol, XLogP of 4.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 71713465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).