4-phenyl-2-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole

C19H12F3N3S — CID 139219006

IUPAC4-phenyl-2-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
SMILESFC(F)(F)c1cc(-c2ccccc2)n(-c2nc(-c3ccccc3)cs2)n1
InChIInChI=1S/C19H12F3N3S/c20-19(21,22)17-11-16(14-9-5-2-6-10-14)25(24-17)18-23-15(12-26-18)13-7-3-1-4-8-13/h1-12H
InChIKeySEVKBQISOKQIGS-UHFFFAOYSA-N
MW371.39 g/mol
LogP5.68
Rot. Bonds3

About 4-phenyl-2-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole

4-phenyl-2-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole (PubChem CID 139219006) has the molecular formula C19H12F3N3S and a molecular weight of 371.39 g/mol. Its IUPAC name is 4-phenyl-2-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-phenyl-2-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
PubChem CID139219006
Molecular FormulaC19H12F3N3S
Molecular Weight371.39 g/mol
Exact Mass371.07
IUPAC Name4-phenyl-2-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
SMILESFC(F)(F)c1cc(-c2ccccc2)n(-c2nc(-c3ccccc3)cs2)n1
InChIInChI=1S/C19H12F3N3S/c20-19(21,22)17-11-16(14-9-5-2-6-10-14)25(24-17)18-23-15(12-26-18)13-7-3-1-4-8-13/h1-12H
InChIKeySEVKBQISOKQIGS-UHFFFAOYSA-N
XLogP5.68
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.39
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-phenyl-2-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole 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-phenyl-2-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole?
The IUPAC name of 4-phenyl-2-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole (CID 139219006) is 4-phenyl-2-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole.
What is the SMILES notation for 4-phenyl-2-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole?
The canonical SMILES for 4-phenyl-2-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole is FC(F)(F)c1cc(-c2ccccc2)n(-c2nc(-c3ccccc3)cs2)n1.
What is the InChIKey of 4-phenyl-2-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole?
The InChIKey is SEVKBQISOKQIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N3S/c20-19(21,22)17-11-16(14-9-5-2-6-10-14)25(24-17)18-23-15(12-26-18)13-7-3-1-4-8-13/h1-12H.
What are the key properties of 4-phenyl-2-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole?
4-phenyl-2-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole has a molecular weight of 371.39 g/mol, XLogP of 5.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole is sourced from PubChem (CID 139219006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).