2-(1H-indol-3-yl)-N-[2-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]imidazol-4-yl]-2-oxoacetamide

C24H19N5O2S — CID 39859814

IUPAC2-(1H-indol-3-yl)-N-[2-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]imidazol-4-yl]-2-oxoacetamide
SMILESCc1ccc(-c2csc(-n3c(NC(=O)C(=O)c4c[nH]c5ccccc45)cnc3C)n2)cc1
InChIInChI=1S/C24H19N5O2S/c1-14-7-9-16(10-8-14)20-13-32-24(27-20)29-15(2)25-12-21(29)28-23(31)22(30)18-11-26-19-6-4-3-5-17(18)19/h3-13,26H,1-2H3,(H,28,31)
InChIKeyZWXOZGBUFGXEGZ-UHFFFAOYSA-N
MW441.52 g/mol
LogP4.92
Rot. Bonds5

About 2-(1H-indol-3-yl)-N-[2-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]imidazol-4-yl]-2-oxoacetamide

2-(1H-indol-3-yl)-N-[2-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]imidazol-4-yl]-2-oxoacetamide (PubChem CID 39859814) has the molecular formula C24H19N5O2S and a molecular weight of 441.52 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[2-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]imidazol-4-yl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[2-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]imidazol-4-yl]-2-oxoacetamide
PubChem CID39859814
Molecular FormulaC24H19N5O2S
Molecular Weight441.52 g/mol
Exact Mass441.13
IUPAC Name2-(1H-indol-3-yl)-N-[2-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]imidazol-4-yl]-2-oxoacetamide
SMILESCc1ccc(-c2csc(-n3c(NC(=O)C(=O)c4c[nH]c5ccccc45)cnc3C)n2)cc1
InChIInChI=1S/C24H19N5O2S/c1-14-7-9-16(10-8-14)20-13-32-24(27-20)29-15(2)25-12-21(29)28-23(31)22(30)18-11-26-19-6-4-3-5-17(18)19/h3-13,26H,1-2H3,(H,28,31)
InChIKeyZWXOZGBUFGXEGZ-UHFFFAOYSA-N
XLogP4.92
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.52
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-(1H-indol-3-yl)-N-[2-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]imidazol-4-yl]-2-oxoacetamide 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-(1H-indol-3-yl)-N-[5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]-2-oxoacetamide
CID 25281580
2-cyclopentyl-N-[2-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]imidazol-4-yl]acetamide
CID 39742220
5-bromo-N-[2-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]imidazol-4-yl]furan-2-carboxamide
CID 39859829
N-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylimidazol-4-yl]-4-oxochromene-2-carboxamide
CID 39859518
4-bromo-N-[2-methyl-3-(4-phenyl-1,3-thiazol-2-yl)imidazol-4-yl]benzamide
CID 51700910
3,4-diethoxy-N-[2-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]imidazol-4-yl]benzamide
CID 39859752
N-[3-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-methylimidazol-4-yl]-2-phenoxypropanamide
CID 56725641
2-(3,4-dimethoxyphenyl)-N-[2-methyl-3-(4-phenyl-1,3-thiazol-2-yl)imidazol-4-yl]acetamide
CID 51700906
2-fluoro-N-[2-methyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)imidazol-4-yl]benzamide
CID 39885568
1-(1H-indol-3-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]methanimine
CID 137224330
N-[(E)-1H-indol-3-ylmethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 135719316
(E)-3-(1,3-benzodioxol-5-yl)-N-[2-methyl-3-(4-phenyl-1,3-thiazol-2-yl)imidazol-4-yl]prop-2-enamide
CID 51700908

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[2-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]imidazol-4-yl]-2-oxoacetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-[2-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]imidazol-4-yl]-2-oxoacetamide (CID 39859814) is 2-(1H-indol-3-yl)-N-[2-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]imidazol-4-yl]-2-oxoacetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[2-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]imidazol-4-yl]-2-oxoacetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[2-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]imidazol-4-yl]-2-oxoacetamide is Cc1ccc(-c2csc(-n3c(NC(=O)C(=O)c4c[nH]c5ccccc45)cnc3C)n2)cc1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[2-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]imidazol-4-yl]-2-oxoacetamide?
The InChIKey is ZWXOZGBUFGXEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O2S/c1-14-7-9-16(10-8-14)20-13-32-24(27-20)29-15(2)25-12-21(29)28-23(31)22(30)18-11-26-19-6-4-3-5-17(18)19/h3-13,26H,1-2H3,(H,28,31).
What are the key properties of 2-(1H-indol-3-yl)-N-[2-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]imidazol-4-yl]-2-oxoacetamide?
2-(1H-indol-3-yl)-N-[2-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]imidazol-4-yl]-2-oxoacetamide has a molecular weight of 441.52 g/mol, XLogP of 4.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-[2-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]imidazol-4-yl]-2-oxoacetamide is sourced from PubChem (CID 39859814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).