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

C21H21N3O2S — CID 7222821

IUPACN'-(3-methylphenyl)-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]oxamide
SMILESCc1cccc(NC(=O)C(=O)NCCc2sc(-c3ccccc3)nc2C)c1
InChIInChI=1S/C21H21N3O2S/c1-14-7-6-10-17(13-14)24-20(26)19(25)22-12-11-18-15(2)23-21(27-18)16-8-4-3-5-9-16/h3-10,13H,11-12H2,1-2H3,(H,22,25)(H,24,26)
InChIKeyWCYIUPSCAJECBF-UHFFFAOYSA-N
MW379.49 g/mol
LogP3.72
Rot. Bonds5

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

N'-(3-methylphenyl)-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]oxamide (PubChem CID 7222821) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is N'-(3-methylphenyl)-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(3-methylphenyl)-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]oxamide
PubChem CID7222821
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC NameN'-(3-methylphenyl)-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]oxamide
SMILESCc1cccc(NC(=O)C(=O)NCCc2sc(-c3ccccc3)nc2C)c1
InChIInChI=1S/C21H21N3O2S/c1-14-7-6-10-17(13-14)24-20(26)19(25)22-12-11-18-15(2)23-21(27-18)16-8-4-3-5-9-16/h3-10,13H,11-12H2,1-2H3,(H,22,25)(H,24,26)
InChIKeyWCYIUPSCAJECBF-UHFFFAOYSA-N
XLogP3.72
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(3,5-dimethylphenyl)-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]oxamide
CID 7222822
N'-(2,6-dimethylphenyl)-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]oxamide
CID 7222838
N'-(3-acetamidophenyl)-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide
CID 27460897
N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-N'-(3,5-dimethylphenyl)oxamide
CID 20965682
N'-(3,5-dimethylphenyl)-N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide
CID 7222985
N'-(2-cyanophenyl)-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]oxamide
CID 7222824
N'-(2,4-difluorophenyl)-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide
CID 20965717
3,4-dimethyl-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide
CID 7502972
4-chloro-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide
CID 7222771
3,5-dimethoxy-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 7502958
4-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]butan-2-one
CID 116886466
N'-(3-acetamidophenyl)-N-[2-(4-methyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)ethyl]oxamide
CID 171505794

Frequently Asked Questions

What is the IUPAC name of N'-(3-methylphenyl)-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]oxamide?
The IUPAC name of N'-(3-methylphenyl)-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]oxamide (CID 7222821) is N'-(3-methylphenyl)-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]oxamide.
What is the SMILES notation for N'-(3-methylphenyl)-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]oxamide?
The canonical SMILES for N'-(3-methylphenyl)-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]oxamide is Cc1cccc(NC(=O)C(=O)NCCc2sc(-c3ccccc3)nc2C)c1.
What is the InChIKey of N'-(3-methylphenyl)-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]oxamide?
The InChIKey is WCYIUPSCAJECBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-14-7-6-10-17(13-14)24-20(26)19(25)22-12-11-18-15(2)23-21(27-18)16-8-4-3-5-9-16/h3-10,13H,11-12H2,1-2H3,(H,22,25)(H,24,26).
What are the key properties of N'-(3-methylphenyl)-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]oxamide?
N'-(3-methylphenyl)-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]oxamide has a molecular weight of 379.49 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methylphenyl)-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]oxamide is sourced from PubChem (CID 7222821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).