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

C23H25N3O2S — CID 7222933

IUPACN'-(4-ethylphenyl)-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide
SMILESCCc1ccc(NC(=O)C(=O)NCCc2sc(-c3ccc(C)cc3)nc2C)cc1
InChIInChI=1S/C23H25N3O2S/c1-4-17-7-11-19(12-8-17)26-22(28)21(27)24-14-13-20-16(3)25-23(29-20)18-9-5-15(2)6-10-18/h5-12H,4,13-14H2,1-3H3,(H,24,27)(H,26,28)
InChIKeyFIDBUYLGBHHGDQ-UHFFFAOYSA-N
MW407.54 g/mol
LogP4.29
Rot. Bonds6

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

N'-(4-ethylphenyl)-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide (PubChem CID 7222933) has the molecular formula C23H25N3O2S and a molecular weight of 407.54 g/mol. Its IUPAC name is N'-(4-ethylphenyl)-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide.

Molecular Properties

Compound NameN'-(4-ethylphenyl)-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide
PubChem CID7222933
Molecular FormulaC23H25N3O2S
Molecular Weight407.54 g/mol
Exact Mass407.17
IUPAC NameN'-(4-ethylphenyl)-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide
SMILESCCc1ccc(NC(=O)C(=O)NCCc2sc(-c3ccc(C)cc3)nc2C)cc1
InChIInChI=1S/C23H25N3O2S/c1-4-17-7-11-19(12-8-17)26-22(28)21(27)24-14-13-20-16(3)25-23(29-20)18-9-5-15(2)6-10-18/h5-12H,4,13-14H2,1-3H3,(H,24,27)(H,26,28)
InChIKeyFIDBUYLGBHHGDQ-UHFFFAOYSA-N
XLogP4.29
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.29
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'-(4-ethylphenyl)-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide?
The IUPAC name of N'-(4-ethylphenyl)-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide (CID 7222933) is N'-(4-ethylphenyl)-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide.
What is the SMILES notation for N'-(4-ethylphenyl)-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide?
The canonical SMILES for N'-(4-ethylphenyl)-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide is CCc1ccc(NC(=O)C(=O)NCCc2sc(-c3ccc(C)cc3)nc2C)cc1.
What is the InChIKey of N'-(4-ethylphenyl)-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide?
The InChIKey is FIDBUYLGBHHGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2S/c1-4-17-7-11-19(12-8-17)26-22(28)21(27)24-14-13-20-16(3)25-23(29-20)18-9-5-15(2)6-10-18/h5-12H,4,13-14H2,1-3H3,(H,24,27)(H,26,28).
What are the key properties of N'-(4-ethylphenyl)-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide?
N'-(4-ethylphenyl)-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 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethylphenyl)-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide is sourced from PubChem (CID 7222933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).