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

C23H25N3O2S — CID 7222961

IUPACN'-(2,5-dimethylphenyl)-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide
SMILESCc1ccc(-c2nc(C)c(CCNC(=O)C(=O)Nc3cc(C)ccc3C)s2)cc1
InChIInChI=1S/C23H25N3O2S/c1-14-6-9-18(10-7-14)23-25-17(4)20(29-23)11-12-24-21(27)22(28)26-19-13-15(2)5-8-16(19)3/h5-10,13H,11-12H2,1-4H3,(H,24,27)(H,26,28)
InChIKeyZWVFMGWDXCYMPD-UHFFFAOYSA-N
MW407.54 g/mol
LogP4.34
Rot. Bonds5

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

N'-(2,5-dimethylphenyl)-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide (PubChem CID 7222961) has the molecular formula C23H25N3O2S and a molecular weight of 407.54 g/mol. Its IUPAC name is N'-(2,5-dimethylphenyl)-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide.

Molecular Properties

Compound NameN'-(2,5-dimethylphenyl)-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide
PubChem CID7222961
Molecular FormulaC23H25N3O2S
Molecular Weight407.54 g/mol
Exact Mass407.17
IUPAC NameN'-(2,5-dimethylphenyl)-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide
SMILESCc1ccc(-c2nc(C)c(CCNC(=O)C(=O)Nc3cc(C)ccc3C)s2)cc1
InChIInChI=1S/C23H25N3O2S/c1-14-6-9-18(10-7-14)23-25-17(4)20(29-23)11-12-24-21(27)22(28)26-19-13-15(2)5-8-16(19)3/h5-10,13H,11-12H2,1-4H3,(H,24,27)(H,26,28)
InChIKeyZWVFMGWDXCYMPD-UHFFFAOYSA-N
XLogP4.34
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'-(2,5-dimethylphenyl)-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide?
The IUPAC name of N'-(2,5-dimethylphenyl)-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide (CID 7222961) is N'-(2,5-dimethylphenyl)-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide.
What is the SMILES notation for N'-(2,5-dimethylphenyl)-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide?
The canonical SMILES for N'-(2,5-dimethylphenyl)-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide is Cc1ccc(-c2nc(C)c(CCNC(=O)C(=O)Nc3cc(C)ccc3C)s2)cc1.
What is the InChIKey of N'-(2,5-dimethylphenyl)-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide?
The InChIKey is ZWVFMGWDXCYMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2S/c1-14-6-9-18(10-7-14)23-25-17(4)20(29-23)11-12-24-21(27)22(28)26-19-13-15(2)5-8-16(19)3/h5-10,13H,11-12H2,1-4H3,(H,24,27)(H,26,28).
What are the key properties of N'-(2,5-dimethylphenyl)-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide?
N'-(2,5-dimethylphenyl)-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide has a molecular weight of 407.54 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dimethylphenyl)-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide is sourced from PubChem (CID 7222961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).