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

C23H25N3O3S — CID 7222985

IUPACN'-(3,5-dimethylphenyl)-N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide
SMILESCOc1ccc(-c2nc(C)c(CCNC(=O)C(=O)Nc3cc(C)cc(C)c3)s2)cc1
InChIInChI=1S/C23H25N3O3S/c1-14-11-15(2)13-18(12-14)26-22(28)21(27)24-10-9-20-16(3)25-23(30-20)17-5-7-19(29-4)8-6-17/h5-8,11-13H,9-10H2,1-4H3,(H,24,27)(H,26,28)
InChIKeyPKNMFPASMPUAGU-UHFFFAOYSA-N
MW423.54 g/mol
LogP4.04
Rot. Bonds6

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

N'-(3,5-dimethylphenyl)-N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide (PubChem CID 7222985) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is N'-(3,5-dimethylphenyl)-N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide.

Molecular Properties

Compound NameN'-(3,5-dimethylphenyl)-N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide
PubChem CID7222985
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC NameN'-(3,5-dimethylphenyl)-N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide
SMILESCOc1ccc(-c2nc(C)c(CCNC(=O)C(=O)Nc3cc(C)cc(C)c3)s2)cc1
InChIInChI=1S/C23H25N3O3S/c1-14-11-15(2)13-18(12-14)26-22(28)21(27)24-10-9-20-16(3)25-23(30-20)17-5-7-19(29-4)8-6-17/h5-8,11-13H,9-10H2,1-4H3,(H,24,27)(H,26,28)
InChIKeyPKNMFPASMPUAGU-UHFFFAOYSA-N
XLogP4.04
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 54.04
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-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-N'-(3,5-dimethylphenyl)oxamide
CID 20965682
N'-(3,5-dimethylphenyl)-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]oxamide
CID 7222822
N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3,5-dimethylbenzamide
CID 7503000
N'-(3-methylphenyl)-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]oxamide
CID 7222821
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]-2-(4-methoxyphenyl)acetamide
CID 7517999
3,4-difluoro-N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide
CID 7222751
3,5-dimethoxy-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 7502958
N'-(2,6-dimethylphenyl)-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]oxamide
CID 7222838
2-(4-methoxyphenyl)-N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]acetamide
CID 110395233
N-(3-acetamidophenyl)-2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]acetamide
CID 110329572
N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3,4-dimethylbenzenesulfonamide
CID 7202350

Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dimethylphenyl)-N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide?
The IUPAC name of N'-(3,5-dimethylphenyl)-N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide (CID 7222985) is N'-(3,5-dimethylphenyl)-N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide.
What is the SMILES notation for N'-(3,5-dimethylphenyl)-N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide?
The canonical SMILES for N'-(3,5-dimethylphenyl)-N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide is COc1ccc(-c2nc(C)c(CCNC(=O)C(=O)Nc3cc(C)cc(C)c3)s2)cc1.
What is the InChIKey of N'-(3,5-dimethylphenyl)-N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide?
The InChIKey is PKNMFPASMPUAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-14-11-15(2)13-18(12-14)26-22(28)21(27)24-10-9-20-16(3)25-23(30-20)17-5-7-19(29-4)8-6-17/h5-8,11-13H,9-10H2,1-4H3,(H,24,27)(H,26,28).
What are the key properties of N'-(3,5-dimethylphenyl)-N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide?
N'-(3,5-dimethylphenyl)-N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide has a molecular weight of 423.54 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dimethylphenyl)-N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide is sourced from PubChem (CID 7222985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).