N'-(2,6-dimethylphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide

C22H23N3O2S — CID 7287552

IUPACN'-(2,6-dimethylphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide
SMILESCc1ccc(-c2nc(CCNC(=O)C(=O)Nc3c(C)cccc3C)cs2)cc1
InChIInChI=1S/C22H23N3O2S/c1-14-7-9-17(10-8-14)22-24-18(13-28-22)11-12-23-20(26)21(27)25-19-15(2)5-4-6-16(19)3/h4-10,13H,11-12H2,1-3H3,(H,23,26)(H,25,27)
InChIKeyMSLCPDNTUOHEDX-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.03
Rot. Bonds5

About N'-(2,6-dimethylphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide

N'-(2,6-dimethylphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide (PubChem CID 7287552) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is N'-(2,6-dimethylphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide.

Molecular Properties

Compound NameN'-(2,6-dimethylphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide
PubChem CID7287552
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC NameN'-(2,6-dimethylphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide
SMILESCc1ccc(-c2nc(CCNC(=O)C(=O)Nc3c(C)cccc3C)cs2)cc1
InChIInChI=1S/C22H23N3O2S/c1-14-7-9-17(10-8-14)22-24-18(13-28-22)11-12-23-20(26)21(27)25-19-15(2)5-4-6-16(19)3/h4-10,13H,11-12H2,1-3H3,(H,23,26)(H,25,27)
InChIKeyMSLCPDNTUOHEDX-UHFFFAOYSA-N
XLogP4.03
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-(2,6-dimethylphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide 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-(2-ethylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 1331233
2-methyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 704426
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 3244200
2-Phenyl-N-[2-(1-piperazinyl)phenyl]-4-thiazolecarboxamide
CID 25094945
2-[4-(dimethylamino)phenyl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 25095481
1-(2,6-Diethylphenyl)-6-(2-methylprop-1-enyl)-5-(piperazine-1-carbonyl)-3-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridin-2-one
CID 121439609
5-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2,6-diethylphenyl)-2-methyl-N-[2-(methylamino)ethyl]-6-oxopyridine-3-carboxamide
CID 137547952
N-(2-aminoethyl)-5-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2,6-diethylphenyl)-2-methyl-6-oxopyridine-3-carboxamide
CID 137548379
2-[4-(2-Benzyl)piperazine-1-yl]-N-[4-(2-methylthiazol-4-yl)phenyl]acetamide (5o)
CID 73443010
N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 737888
N-(2-acetylphenyl)-2-[(2Z)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 2080713
4-[2-[(4-Phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 2448859

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-dimethylphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide?
The IUPAC name of N'-(2,6-dimethylphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide (CID 7287552) is N'-(2,6-dimethylphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide.
What is the SMILES notation for N'-(2,6-dimethylphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide?
The canonical SMILES for N'-(2,6-dimethylphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide is Cc1ccc(-c2nc(CCNC(=O)C(=O)Nc3c(C)cccc3C)cs2)cc1.
What is the InChIKey of N'-(2,6-dimethylphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide?
The InChIKey is MSLCPDNTUOHEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-14-7-9-17(10-8-14)22-24-18(13-28-22)11-12-23-20(26)21(27)25-19-15(2)5-4-6-16(19)3/h4-10,13H,11-12H2,1-3H3,(H,23,26)(H,25,27).
What are the key properties of N'-(2,6-dimethylphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide?
N'-(2,6-dimethylphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide has a molecular weight of 393.51 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-dimethylphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide is sourced from PubChem (CID 7287552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).