N-(3-acetylphenyl)-2-[2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]acetamide

C25H24N4O2S — CID 46265363

IUPACN-(3-acetylphenyl)-2-[2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]acetamide
SMILESCC(=O)c1cccc(NC(=O)Cc2csc(-n3nc(C)c(Cc4ccccc4)c3C)n2)c1
InChIInChI=1S/C25H24N4O2S/c1-16-23(12-19-8-5-4-6-9-19)17(2)29(28-16)25-27-22(15-32-25)14-24(31)26-21-11-7-10-20(13-21)18(3)30/h4-11,13,15H,12,14H2,1-3H3,(H,26,31)
InChIKeyAIDZGZOLTCJJGZ-UHFFFAOYSA-N
MW444.56 g/mol
LogP4.92
Rot. Bonds7

About N-(3-acetylphenyl)-2-[2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]acetamide

N-(3-acetylphenyl)-2-[2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]acetamide (PubChem CID 46265363) has the molecular formula C25H24N4O2S and a molecular weight of 444.56 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]acetamide
PubChem CID46265363
Molecular FormulaC25H24N4O2S
Molecular Weight444.56 g/mol
Exact Mass444.16
IUPAC NameN-(3-acetylphenyl)-2-[2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]acetamide
SMILESCC(=O)c1cccc(NC(=O)Cc2csc(-n3nc(C)c(Cc4ccccc4)c3C)n2)c1
InChIInChI=1S/C25H24N4O2S/c1-16-23(12-19-8-5-4-6-9-19)17(2)29(28-16)25-27-22(15-32-25)14-24(31)26-21-11-7-10-20(13-21)18(3)30/h4-11,13,15H,12,14H2,1-3H3,(H,26,31)
InChIKeyAIDZGZOLTCJJGZ-UHFFFAOYSA-N
XLogP4.92
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-acetylphenyl)-2-[2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]acetamide 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 N-(3-acetylphenyl)-2-[2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]acetamide (CID 46265363) is N-(3-acetylphenyl)-2-[2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]acetamide is CC(=O)c1cccc(NC(=O)Cc2csc(-n3nc(C)c(Cc4ccccc4)c3C)n2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is AIDZGZOLTCJJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2S/c1-16-23(12-19-8-5-4-6-9-19)17(2)29(28-16)25-27-22(15-32-25)14-24(31)26-21-11-7-10-20(13-21)18(3)30/h4-11,13,15H,12,14H2,1-3H3,(H,26,31).
What are the key properties of N-(3-acetylphenyl)-2-[2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]acetamide?
N-(3-acetylphenyl)-2-[2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 444.56 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 46265363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).