N-(4-acetylphenyl)-4-methyl-2-[5-methyl-4-(3-methylbutyl)-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-5-carboxamide

C22H26N4O3S — CID 20898769

IUPACN-(4-acetylphenyl)-4-methyl-2-[5-methyl-4-(3-methylbutyl)-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-5-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2sc(-n3[nH]c(C)c(CCC(C)C)c3=O)nc2C)cc1
InChIInChI=1S/C22H26N4O3S/c1-12(2)6-11-18-13(3)25-26(21(18)29)22-23-14(4)19(30-22)20(28)24-17-9-7-16(8-10-17)15(5)27/h7-10,12,25H,6,11H2,1-5H3,(H,24,28)
InChIKeyISZVIVPIOMIAQS-UHFFFAOYSA-N
MW426.54 g/mol
LogP4.28
Rot. Bonds7

About N-(4-acetylphenyl)-4-methyl-2-[5-methyl-4-(3-methylbutyl)-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-5-carboxamide

N-(4-acetylphenyl)-4-methyl-2-[5-methyl-4-(3-methylbutyl)-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-5-carboxamide (PubChem CID 20898769) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is N-(4-acetylphenyl)-4-methyl-2-[5-methyl-4-(3-methylbutyl)-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-4-methyl-2-[5-methyl-4-(3-methylbutyl)-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-5-carboxamide
PubChem CID20898769
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC NameN-(4-acetylphenyl)-4-methyl-2-[5-methyl-4-(3-methylbutyl)-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-5-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2sc(-n3[nH]c(C)c(CCC(C)C)c3=O)nc2C)cc1
InChIInChI=1S/C22H26N4O3S/c1-12(2)6-11-18-13(3)25-26(21(18)29)22-23-14(4)19(30-22)20(28)24-17-9-7-16(8-10-17)15(5)27/h7-10,12,25H,6,11H2,1-5H3,(H,24,28)
InChIKeyISZVIVPIOMIAQS-UHFFFAOYSA-N
XLogP4.28
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(4-acetylphenyl)-4-methyl-2-[5-methyl-4-(3-methylbutyl)-3-oxo-1H-pyrazol-2-yl]-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

N-(4-acetylphenyl)-2-(4-butyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 23611564
2-(4-benzyl-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 50751095
2-(4-butyl-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(5-chloro-2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 20898693
N-(4-acetylphenyl)-3-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide
CID 20898801
N-(3-acetylphenyl)-2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 23611507
N-(3-acetylphenyl)-2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 23611669
2-amino-N-[4-(2-hydroxyethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55116150
N-(4-acetylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 24702385
2-amino-4-methyl-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
CID 62792729
2,4-dimethyl-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
CID 112758653
2-amino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 735558
2-methylpropyl 4-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]benzoate
CID 108788246

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-4-methyl-2-[5-methyl-4-(3-methylbutyl)-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-4-methyl-2-[5-methyl-4-(3-methylbutyl)-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-5-carboxamide (CID 20898769) is N-(4-acetylphenyl)-4-methyl-2-[5-methyl-4-(3-methylbutyl)-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-4-methyl-2-[5-methyl-4-(3-methylbutyl)-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-4-methyl-2-[5-methyl-4-(3-methylbutyl)-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-5-carboxamide is CC(=O)c1ccc(NC(=O)c2sc(-n3[nH]c(C)c(CCC(C)C)c3=O)nc2C)cc1.
What is the InChIKey of N-(4-acetylphenyl)-4-methyl-2-[5-methyl-4-(3-methylbutyl)-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is ISZVIVPIOMIAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-12(2)6-11-18-13(3)25-26(21(18)29)22-23-14(4)19(30-22)20(28)24-17-9-7-16(8-10-17)15(5)27/h7-10,12,25H,6,11H2,1-5H3,(H,24,28).
What are the key properties of N-(4-acetylphenyl)-4-methyl-2-[5-methyl-4-(3-methylbutyl)-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-5-carboxamide?
N-(4-acetylphenyl)-4-methyl-2-[5-methyl-4-(3-methylbutyl)-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 426.54 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-4-methyl-2-[5-methyl-4-(3-methylbutyl)-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 20898769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).