2-[2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-1,3-thiazol-4-yl]-N-(2,6-dimethylphenyl)acetamide

C26H28N4OS — CID 46265421

IUPAC2-[2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-1,3-thiazol-4-yl]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1ccc(Cc2c(C)nn(-c3nc(CC(=O)Nc4c(C)cccc4C)cs3)c2C)cc1
InChIInChI=1S/C26H28N4OS/c1-16-9-11-21(12-10-16)13-23-19(4)29-30(20(23)5)26-27-22(15-32-26)14-24(31)28-25-17(2)7-6-8-18(25)3/h6-12,15H,13-14H2,1-5H3,(H,28,31)
InChIKeyLJWDTFDLAXWFLA-UHFFFAOYSA-N
MW444.60 g/mol
LogP5.64
Rot. Bonds6

About 2-[2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-1,3-thiazol-4-yl]-N-(2,6-dimethylphenyl)acetamide

2-[2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-1,3-thiazol-4-yl]-N-(2,6-dimethylphenyl)acetamide (PubChem CID 46265421) has the molecular formula C26H28N4OS and a molecular weight of 444.60 g/mol. Its IUPAC name is 2-[2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-1,3-thiazol-4-yl]-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-1,3-thiazol-4-yl]-N-(2,6-dimethylphenyl)acetamide
PubChem CID46265421
Molecular FormulaC26H28N4OS
Molecular Weight444.60 g/mol
Exact Mass444.20
IUPAC Name2-[2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-1,3-thiazol-4-yl]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1ccc(Cc2c(C)nn(-c3nc(CC(=O)Nc4c(C)cccc4C)cs3)c2C)cc1
InChIInChI=1S/C26H28N4OS/c1-16-9-11-21(12-10-16)13-23-19(4)29-30(20(23)5)26-27-22(15-32-26)14-24(31)28-25-17(2)7-6-8-18(25)3/h6-12,15H,13-14H2,1-5H3,(H,28,31)
InChIKeyLJWDTFDLAXWFLA-UHFFFAOYSA-N
XLogP5.64
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.60
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-1,3-thiazol-4-yl]-N-(2,6-dimethylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
CID 46265433
2-[2-[3,5-dimethyl-4-(3-methylbutyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-N-(2,6-dimethylphenyl)acetamide
CID 46265487
N-(5-chloro-2-methylphenyl)-2-[2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-1,3-thiazol-4-yl]acetamide
CID 46265419
2-[2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-(2,4-dimethylphenyl)acetamide
CID 46265366
2-[2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-phenylacetamide
CID 50746050
N-butyl-2-[2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-1,3-thiazol-4-yl]acetamide
CID 46265407
2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-N-(2,6-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 23611671
N-(2-methoxyphenyl)-2-[2-[4-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide
CID 46265469
2-[2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-(3-chloro-2-methylphenyl)acetamide
CID 46265381
2-[2-[4-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]-N-phenylacetamide
CID 50751077
N-(4-fluorophenyl)-2-[2-[4-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide
CID 50751083
N-benzyl-2-[2-[4-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide
CID 46265391

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-1,3-thiazol-4-yl]-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-1,3-thiazol-4-yl]-N-(2,6-dimethylphenyl)acetamide (CID 46265421) is 2-[2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-1,3-thiazol-4-yl]-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-1,3-thiazol-4-yl]-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-1,3-thiazol-4-yl]-N-(2,6-dimethylphenyl)acetamide is Cc1ccc(Cc2c(C)nn(-c3nc(CC(=O)Nc4c(C)cccc4C)cs3)c2C)cc1.
What is the InChIKey of 2-[2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-1,3-thiazol-4-yl]-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is LJWDTFDLAXWFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4OS/c1-16-9-11-21(12-10-16)13-23-19(4)29-30(20(23)5)26-27-22(15-32-26)14-24(31)28-25-17(2)7-6-8-18(25)3/h6-12,15H,13-14H2,1-5H3,(H,28,31).
What are the key properties of 2-[2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-1,3-thiazol-4-yl]-N-(2,6-dimethylphenyl)acetamide?
2-[2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-1,3-thiazol-4-yl]-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 444.60 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-1,3-thiazol-4-yl]-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 46265421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).