2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-N-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazole-5-carboxamide

C25H27N5OS — CID 46263558

IUPAC2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-N-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2nc(C)c(Cc3ccccc3)c2C)sc1C(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C25H27N5OS/c1-16-22(15-19-9-7-6-8-10-19)18(3)30(28-16)25-26-17(2)23(32-25)24(31)27-20-11-13-21(14-12-20)29(4)5/h6-14H,15H2,1-5H3,(H,27,31)
InChIKeyTVGIWACHRZYIHD-UHFFFAOYSA-N
MW445.59 g/mol
LogP5.16
Rot. Bonds6

About 2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-N-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazole-5-carboxamide

2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-N-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 46263558) has the molecular formula C25H27N5OS and a molecular weight of 445.59 g/mol. Its IUPAC name is 2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-N-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-N-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID46263558
Molecular FormulaC25H27N5OS
Molecular Weight445.59 g/mol
Exact Mass445.19
IUPAC Name2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-N-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2nc(C)c(Cc3ccccc3)c2C)sc1C(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C25H27N5OS/c1-16-22(15-19-9-7-6-8-10-19)18(3)30(28-16)25-26-17(2)23(32-25)24(31)27-20-11-13-21(14-12-20)29(4)5/h6-14H,15H2,1-5H3,(H,27,31)
InChIKeyTVGIWACHRZYIHD-UHFFFAOYSA-N
XLogP5.16
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.59
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-N-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazole-5-carboxamide 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-(4-benzyl-3,5-dimethylpyrazol-1-yl)-N-(2,3-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 46263568
N-(3-acetylphenyl)-2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 23611669
2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-N-(2,6-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 23611671
2-[4-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 23611606
N-[4-(dimethylamino)phenyl]-2-[2-[4-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide
CID 46265474
N-(4-acetylphenyl)-2-(4-butyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 23611564
methyl 2-[[2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-4-methyl-1,3-thiazole-5-carbonyl]amino]-2-phenylacetate
CID 23611683
2-[2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-phenylacetamide
CID 50746050
2-(dimethylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 8893174
2-benzyl-4-methyl-N-[4-(propanoylamino)phenyl]-1,3-thiazole-5-carboxamide
CID 55788388
N-[4-(dimethylamino)phenyl]-4-ethyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 53134309
2-benzyl-N-[4-(2-methoxyethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55657916

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-N-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-N-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 46263558) is 2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-N-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-N-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-N-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(-n2nc(C)c(Cc3ccccc3)c2C)sc1C(=O)Nc1ccc(N(C)C)cc1.
What is the InChIKey of 2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-N-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is TVGIWACHRZYIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5OS/c1-16-22(15-19-9-7-6-8-10-19)18(3)30(28-16)25-26-17(2)23(32-25)24(31)27-20-11-13-21(14-12-20)29(4)5/h6-14H,15H2,1-5H3,(H,27,31).
What are the key properties of 2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-N-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-N-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 445.59 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-N-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 46263558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).