2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide

C16H21N3O2S — CID 2998598

IUPAC2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide
SMILESCC/N=C1/SC(CC(=O)Nc2ccc(C)cc2)C(=O)N1CC
InChIInChI=1S/C16H21N3O2S/c1-4-17-16-19(5-2)15(21)13(22-16)10-14(20)18-12-8-6-11(3)7-9-12/h6-9,13H,4-5,10H2,1-3H3,(H,18,20)/b17-16+
InChIKeyHYPAPGJXRWUPFZ-WUKNDPDISA-N
MW319.43 g/mol
LogP2.66
Rot. Bonds5

About 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide

2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide (PubChem CID 2998598) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide
PubChem CID2998598
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide
SMILESCC/N=C1/SC(CC(=O)Nc2ccc(C)cc2)C(=O)N1CC
InChIInChI=1S/C16H21N3O2S/c1-4-17-16-19(5-2)15(21)13(22-16)10-14(20)18-12-8-6-11(3)7-9-12/h6-9,13H,4-5,10H2,1-3H3,(H,18,20)/b17-16+
InChIKeyHYPAPGJXRWUPFZ-WUKNDPDISA-N
XLogP2.66
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide (CID 2998598) is 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide is CC/N=C1/SC(CC(=O)Nc2ccc(C)cc2)C(=O)N1CC.
What is the InChIKey of 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide?
The InChIKey is HYPAPGJXRWUPFZ-WUKNDPDISA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-4-17-16-19(5-2)15(21)13(22-16)10-14(20)18-12-8-6-11(3)7-9-12/h6-9,13H,4-5,10H2,1-3H3,(H,18,20)/b17-16+.
What are the key properties of 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide?
2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide has a molecular weight of 319.43 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 2998598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).