N'-(3,4-dimethylphenyl)-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide

C23H25N3O2S — CID 7223026

IUPACN'-(3,4-dimethylphenyl)-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide
SMILESCc1cccc(-c2nc(C)c(CCNC(=O)C(=O)Nc3ccc(C)c(C)c3)s2)c1
InChIInChI=1S/C23H25N3O2S/c1-14-6-5-7-18(12-14)23-25-17(4)20(29-23)10-11-24-21(27)22(28)26-19-9-8-15(2)16(3)13-19/h5-9,12-13H,10-11H2,1-4H3,(H,24,27)(H,26,28)
InChIKeyDVFDPRFCEOQGTH-UHFFFAOYSA-N
MW407.54 g/mol
LogP4.34
Rot. Bonds5

About N'-(3,4-dimethylphenyl)-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide

N'-(3,4-dimethylphenyl)-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide (PubChem CID 7223026) has the molecular formula C23H25N3O2S and a molecular weight of 407.54 g/mol. Its IUPAC name is N'-(3,4-dimethylphenyl)-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide.

Molecular Properties

Compound NameN'-(3,4-dimethylphenyl)-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide
PubChem CID7223026
Molecular FormulaC23H25N3O2S
Molecular Weight407.54 g/mol
Exact Mass407.17
IUPAC NameN'-(3,4-dimethylphenyl)-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide
SMILESCc1cccc(-c2nc(C)c(CCNC(=O)C(=O)Nc3ccc(C)c(C)c3)s2)c1
InChIInChI=1S/C23H25N3O2S/c1-14-6-5-7-18(12-14)23-25-17(4)20(29-23)10-11-24-21(27)22(28)26-19-9-8-15(2)16(3)13-19/h5-9,12-13H,10-11H2,1-4H3,(H,24,27)(H,26,28)
InChIKeyDVFDPRFCEOQGTH-UHFFFAOYSA-N
XLogP4.34
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-(3,4-dimethylphenyl)-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-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

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dimethylphenyl)-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide?
The IUPAC name of N'-(3,4-dimethylphenyl)-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide (CID 7223026) is N'-(3,4-dimethylphenyl)-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide.
What is the SMILES notation for N'-(3,4-dimethylphenyl)-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide?
The canonical SMILES for N'-(3,4-dimethylphenyl)-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide is Cc1cccc(-c2nc(C)c(CCNC(=O)C(=O)Nc3ccc(C)c(C)c3)s2)c1.
What is the InChIKey of N'-(3,4-dimethylphenyl)-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide?
The InChIKey is DVFDPRFCEOQGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2S/c1-14-6-5-7-18(12-14)23-25-17(4)20(29-23)10-11-24-21(27)22(28)26-19-9-8-15(2)16(3)13-19/h5-9,12-13H,10-11H2,1-4H3,(H,24,27)(H,26,28).
What are the key properties of N'-(3,4-dimethylphenyl)-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide?
N'-(3,4-dimethylphenyl)-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide has a molecular weight of 407.54 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dimethylphenyl)-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide is sourced from PubChem (CID 7223026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).