2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazol-4-one

C18H15N3OS — CID 57396639

IUPAC2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazol-4-one
SMILESO=C1CSC(N2N=C(c3ccccc3)CC2c2ccccc2)=N1
InChIInChI=1S/C18H15N3OS/c22-17-12-23-18(19-17)21-16(14-9-5-2-6-10-14)11-15(20-21)13-7-3-1-4-8-13/h1-10,16H,11-12H2
InChIKeyZJSPQEYXVVTWGL-UHFFFAOYSA-N
MW321.41 g/mol
LogP3.47
Rot. Bonds2

About 2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazol-4-one

2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazol-4-one (PubChem CID 57396639) has the molecular formula C18H15N3OS and a molecular weight of 321.41 g/mol. Its IUPAC name is 2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazol-4-one
PubChem CID57396639
Molecular FormulaC18H15N3OS
Molecular Weight321.41 g/mol
Exact Mass321.09
IUPAC Name2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazol-4-one
SMILESO=C1CSC(N2N=C(c3ccccc3)CC2c2ccccc2)=N1
InChIInChI=1S/C18H15N3OS/c22-17-12-23-18(19-17)21-16(14-9-5-2-6-10-14)11-15(20-21)13-7-3-1-4-8-13/h1-10,16H,11-12H2
InChIKeyZJSPQEYXVVTWGL-UHFFFAOYSA-N
XLogP3.47
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazol-4-one 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-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazol-4-one?
The IUPAC name of 2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazol-4-one (CID 57396639) is 2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazol-4-one.
What is the SMILES notation for 2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazol-4-one?
The canonical SMILES for 2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazol-4-one is O=C1CSC(N2N=C(c3ccccc3)CC2c2ccccc2)=N1.
What is the InChIKey of 2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazol-4-one?
The InChIKey is ZJSPQEYXVVTWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3OS/c22-17-12-23-18(19-17)21-16(14-9-5-2-6-10-14)11-15(20-21)13-7-3-1-4-8-13/h1-10,16H,11-12H2.
What are the key properties of 2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazol-4-one?
2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazol-4-one has a molecular weight of 321.41 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazol-4-one is sourced from PubChem (CID 57396639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).