N'-(2-methoxy-5-methylphenyl)-N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide

C23H23N5O3S — CID 20965903

IUPACN'-(2-methoxy-5-methylphenyl)-N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide
SMILESCOc1ccc(C)cc1NC(=O)C(=O)NCCc1csc2nc(-c3ccccc3C)nn12
InChIInChI=1S/C23H23N5O3S/c1-14-8-9-19(31-3)18(12-14)25-22(30)21(29)24-11-10-16-13-32-23-26-20(27-28(16)23)17-7-5-4-6-15(17)2/h4-9,12-13H,10-11H2,1-3H3,(H,24,29)(H,25,30)
InChIKeyCHSZJERNSJPUKS-UHFFFAOYSA-N
MW449.54 g/mol
LogP3.38
Rot. Bonds6

About N'-(2-methoxy-5-methylphenyl)-N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide

N'-(2-methoxy-5-methylphenyl)-N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide (PubChem CID 20965903) has the molecular formula C23H23N5O3S and a molecular weight of 449.54 g/mol. Its IUPAC name is N'-(2-methoxy-5-methylphenyl)-N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide.

Molecular Properties

Compound NameN'-(2-methoxy-5-methylphenyl)-N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide
PubChem CID20965903
Molecular FormulaC23H23N5O3S
Molecular Weight449.54 g/mol
Exact Mass449.15
IUPAC NameN'-(2-methoxy-5-methylphenyl)-N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide
SMILESCOc1ccc(C)cc1NC(=O)C(=O)NCCc1csc2nc(-c3ccccc3C)nn12
InChIInChI=1S/C23H23N5O3S/c1-14-8-9-19(31-3)18(12-14)25-22(30)21(29)24-11-10-16-13-32-23-26-20(27-28(16)23)17-7-5-4-6-15(17)2/h4-9,12-13H,10-11H2,1-3H3,(H,24,29)(H,25,30)
InChIKeyCHSZJERNSJPUKS-UHFFFAOYSA-N
XLogP3.38
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.54
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-acetamidophenyl)-N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide
CID 44826646
N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-N'-(2-methylphenyl)oxamide
CID 20965931
N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]acetamide
CID 7530936
2-(4-methoxyphenyl)-N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]acetamide
CID 7530900
N'-(2-methylphenyl)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]oxamide
CID 44826640
2-chloro-N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide
CID 7530905
N'-(3,4-dimethoxyphenyl)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]oxamide
CID 27444679
N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]ethanesulfonamide
CID 27656245
N'-(2,5-dimethylphenyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 7541746
3,4-dimethyl-N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzenesulfonamide
CID 20965799
methyl N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]carbamate
CID 7531042
3-(3,4-dimethoxyphenyl)-N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]prop-2-enamide
CID 75281539

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxy-5-methylphenyl)-N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide?
The IUPAC name of N'-(2-methoxy-5-methylphenyl)-N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide (CID 20965903) is N'-(2-methoxy-5-methylphenyl)-N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide.
What is the SMILES notation for N'-(2-methoxy-5-methylphenyl)-N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide?
The canonical SMILES for N'-(2-methoxy-5-methylphenyl)-N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide is COc1ccc(C)cc1NC(=O)C(=O)NCCc1csc2nc(-c3ccccc3C)nn12.
What is the InChIKey of N'-(2-methoxy-5-methylphenyl)-N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide?
The InChIKey is CHSZJERNSJPUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3S/c1-14-8-9-19(31-3)18(12-14)25-22(30)21(29)24-11-10-16-13-32-23-26-20(27-28(16)23)17-7-5-4-6-15(17)2/h4-9,12-13H,10-11H2,1-3H3,(H,24,29)(H,25,30).
What are the key properties of N'-(2-methoxy-5-methylphenyl)-N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide?
N'-(2-methoxy-5-methylphenyl)-N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide has a molecular weight of 449.54 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxy-5-methylphenyl)-N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide is sourced from PubChem (CID 20965903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).