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

C21H21N3O3S — CID 7287545

IUPACN'-(3-methoxyphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide
SMILESCOc1cccc(NC(=O)C(=O)NCCc2csc(-c3ccc(C)cc3)n2)c1
InChIInChI=1S/C21H21N3O3S/c1-14-6-8-15(9-7-14)21-24-17(13-28-21)10-11-22-19(25)20(26)23-16-4-3-5-18(12-16)27-2/h3-9,12-13H,10-11H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyNPQKNPDUKJCQPQ-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.42
Rot. Bonds6

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

N'-(3-methoxyphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide (PubChem CID 7287545) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is N'-(3-methoxyphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide.

Molecular Properties

Compound NameN'-(3-methoxyphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide
PubChem CID7287545
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC NameN'-(3-methoxyphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide
SMILESCOc1cccc(NC(=O)C(=O)NCCc2csc(-c3ccc(C)cc3)n2)c1
InChIInChI=1S/C21H21N3O3S/c1-14-6-8-15(9-7-14)21-24-17(13-28-21)10-11-22-19(25)20(26)23-16-4-3-5-18(12-16)27-2/h3-9,12-13H,10-11H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyNPQKNPDUKJCQPQ-UHFFFAOYSA-N
XLogP3.42
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(3-methoxyphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide?
The IUPAC name of N'-(3-methoxyphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide (CID 7287545) is N'-(3-methoxyphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide.
What is the SMILES notation for N'-(3-methoxyphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide?
The canonical SMILES for N'-(3-methoxyphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide is COc1cccc(NC(=O)C(=O)NCCc2csc(-c3ccc(C)cc3)n2)c1.
What is the InChIKey of N'-(3-methoxyphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide?
The InChIKey is NPQKNPDUKJCQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-14-6-8-15(9-7-14)21-24-17(13-28-21)10-11-22-19(25)20(26)23-16-4-3-5-18(12-16)27-2/h3-9,12-13H,10-11H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N'-(3-methoxyphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide?
N'-(3-methoxyphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide has a molecular weight of 395.48 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methoxyphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide is sourced from PubChem (CID 7287545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).