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

C21H18N4O2S — CID 7222824

IUPACN'-(2-cyanophenyl)-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]oxamide
SMILESCc1nc(-c2ccccc2)sc1CCNC(=O)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C21H18N4O2S/c1-14-18(28-21(24-14)15-7-3-2-4-8-15)11-12-23-19(26)20(27)25-17-10-6-5-9-16(17)13-22/h2-10H,11-12H2,1H3,(H,23,26)(H,25,27)
InChIKeyWCPCHEOODJMTJU-UHFFFAOYSA-N
MW390.47 g/mol
LogP3.29
Rot. Bonds5

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

N'-(2-cyanophenyl)-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]oxamide (PubChem CID 7222824) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is N'-(2-cyanophenyl)-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(2-cyanophenyl)-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]oxamide
PubChem CID7222824
Molecular FormulaC21H18N4O2S
Molecular Weight390.47 g/mol
Exact Mass390.12
IUPAC NameN'-(2-cyanophenyl)-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]oxamide
SMILESCc1nc(-c2ccccc2)sc1CCNC(=O)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C21H18N4O2S/c1-14-18(28-21(24-14)15-7-3-2-4-8-15)11-12-23-19(26)20(27)25-17-10-6-5-9-16(17)13-22/h2-10H,11-12H2,1H3,(H,23,26)(H,25,27)
InChIKeyWCPCHEOODJMTJU-UHFFFAOYSA-N
XLogP3.29
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,6-dimethylphenyl)-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]oxamide
CID 7222838
N'-(3,5-dimethylphenyl)-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]oxamide
CID 7222822
N'-(3-methylphenyl)-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]oxamide
CID 7222821
N'-(2-cyanophenyl)-N-propyloxamide
CID 7292742
N'-(2,4-difluorophenyl)-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide
CID 20965717
N'-(2-cyanophenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108501500
N'-(3-acetamidophenyl)-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide
CID 27460897
N'-(2-cyanophenyl)-N-pentyloxamide
CID 7541464
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-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]oxamide
CID 155801215
3-[[2-(2-cyanoanilino)-2-oxoacetyl]amino]propyl-dimethylazanium
CID 7292746

Frequently Asked Questions

What is the IUPAC name of N'-(2-cyanophenyl)-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]oxamide?
The IUPAC name of N'-(2-cyanophenyl)-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]oxamide (CID 7222824) is N'-(2-cyanophenyl)-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]oxamide.
What is the SMILES notation for N'-(2-cyanophenyl)-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]oxamide?
The canonical SMILES for N'-(2-cyanophenyl)-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]oxamide is Cc1nc(-c2ccccc2)sc1CCNC(=O)C(=O)Nc1ccccc1C#N.
What is the InChIKey of N'-(2-cyanophenyl)-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]oxamide?
The InChIKey is WCPCHEOODJMTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S/c1-14-18(28-21(24-14)15-7-3-2-4-8-15)11-12-23-19(26)20(27)25-17-10-6-5-9-16(17)13-22/h2-10H,11-12H2,1H3,(H,23,26)(H,25,27).
What are the key properties of N'-(2-cyanophenyl)-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]oxamide?
N'-(2-cyanophenyl)-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]oxamide has a molecular weight of 390.47 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyanophenyl)-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]oxamide is sourced from PubChem (CID 7222824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).