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

C15H19N3O2S — CID 2998505

IUPAC2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-phenylacetamide
SMILESCC/N=C1/SC(CC(=O)Nc2ccccc2)C(=O)N1CC
InChIInChI=1S/C15H19N3O2S/c1-3-16-15-18(4-2)14(20)12(21-15)10-13(19)17-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3,(H,17,19)/b16-15+
InChIKeyXDGYPDBQJRLQFF-FOCLMDBBSA-N
MW305.40 g/mol
LogP2.36
Rot. Bonds5

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

2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-phenylacetamide (PubChem CID 2998505) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-phenylacetamide
PubChem CID2998505
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-phenylacetamide
SMILESCC/N=C1/SC(CC(=O)Nc2ccccc2)C(=O)N1CC
InChIInChI=1S/C15H19N3O2S/c1-3-16-15-18(4-2)14(20)12(21-15)10-13(19)17-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3,(H,17,19)/b16-15+
InChIKeyXDGYPDBQJRLQFF-FOCLMDBBSA-N
XLogP2.36
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.36
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-phenylacetamide?
The IUPAC name of 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-phenylacetamide (CID 2998505) is 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-phenylacetamide.
What is the SMILES notation for 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-phenylacetamide?
The canonical SMILES for 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-phenylacetamide is CC/N=C1/SC(CC(=O)Nc2ccccc2)C(=O)N1CC.
What is the InChIKey of 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-phenylacetamide?
The InChIKey is XDGYPDBQJRLQFF-FOCLMDBBSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-3-16-15-18(4-2)14(20)12(21-15)10-13(19)17-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3,(H,17,19)/b16-15+.
What are the key properties of 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-phenylacetamide?
2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-phenylacetamide has a molecular weight of 305.40 g/mol, XLogP of 2.36, 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-phenylacetamide is sourced from PubChem (CID 2998505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).