2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-N-(2,3-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide

C25H26N4OS — CID 46263568

IUPAC2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-N-(2,3-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1cccc(NC(=O)c2sc(-n3nc(C)c(Cc4ccccc4)c3C)nc2C)c1C
InChIInChI=1S/C25H26N4OS/c1-15-10-9-13-22(16(15)2)27-24(30)23-18(4)26-25(31-23)29-19(5)21(17(3)28-29)14-20-11-7-6-8-12-20/h6-13H,14H2,1-5H3,(H,27,30)
InChIKeyNVWUIDDGCLDTPU-UHFFFAOYSA-N
MW430.58 g/mol
LogP5.71
Rot. Bonds5

About 2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-N-(2,3-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide

2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-N-(2,3-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 46263568) has the molecular formula C25H26N4OS and a molecular weight of 430.58 g/mol. Its IUPAC name is 2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-N-(2,3-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-N-(2,3-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID46263568
Molecular FormulaC25H26N4OS
Molecular Weight430.58 g/mol
Exact Mass430.18
IUPAC Name2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-N-(2,3-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1cccc(NC(=O)c2sc(-n3nc(C)c(Cc4ccccc4)c3C)nc2C)c1C
InChIInChI=1S/C25H26N4OS/c1-15-10-9-13-22(16(15)2)27-24(30)23-18(4)26-25(31-23)29-19(5)21(17(3)28-29)14-20-11-7-6-8-12-20/h6-13H,14H2,1-5H3,(H,27,30)
InChIKeyNVWUIDDGCLDTPU-UHFFFAOYSA-N
XLogP5.71
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.58
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-N-(2,3-dimethylphenyl)-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-[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-benzyl-3,5-dimethylpyrazol-1-yl)-N-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 46263558
N-(3-acetylphenyl)-2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 23611669
2-[4-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 23611606
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-(3-chloro-2-methylphenyl)acetamide
CID 46265381
2-[2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
CID 46265433
N-(4-acetylphenyl)-2-(4-butyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 23611564
2-benzyl-4-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide
CID 52815770
2-[2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-(2,4-dimethylphenyl)acetamide
CID 46265366
N-(3-benzamido-2-methylphenyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 55899419
N-butyl-2-[4-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 23611611

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-N-(2,3-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-N-(2,3-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 46263568) is 2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-N-(2,3-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-N-(2,3-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-N-(2,3-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1cccc(NC(=O)c2sc(-n3nc(C)c(Cc4ccccc4)c3C)nc2C)c1C.
What is the InChIKey of 2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-N-(2,3-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is NVWUIDDGCLDTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4OS/c1-15-10-9-13-22(16(15)2)27-24(30)23-18(4)26-25(31-23)29-19(5)21(17(3)28-29)14-20-11-7-6-8-12-20/h6-13H,14H2,1-5H3,(H,27,30).
What are the key properties of 2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-N-(2,3-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-N-(2,3-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 430.58 g/mol, XLogP of 5.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-N-(2,3-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 46263568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).