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

C16H21N3O2S — CID 3147895

IUPACN-benzyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
SMILESCC/N=C1\SC(CC(=O)NCc2ccccc2)C(=O)N1CC
InChIInChI=1S/C16H21N3O2S/c1-3-17-16-19(4-2)15(21)13(22-16)10-14(20)18-11-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3,(H,18,20)/b17-16-
InChIKeyJBGGPDZJFJSANA-MSUUIHNZSA-N
MW319.43 g/mol
LogP2.03
Rot. Bonds6

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

N-benzyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide (PubChem CID 3147895) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-benzyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
PubChem CID3147895
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC NameN-benzyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
SMILESCC/N=C1\SC(CC(=O)NCc2ccccc2)C(=O)N1CC
InChIInChI=1S/C16H21N3O2S/c1-3-17-16-19(4-2)15(21)13(22-16)10-14(20)18-11-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3,(H,18,20)/b17-16-
InChIKeyJBGGPDZJFJSANA-MSUUIHNZSA-N
XLogP2.03
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.03
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 N-benzyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The IUPAC name of N-benzyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide (CID 3147895) is N-benzyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The canonical SMILES for N-benzyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide is CC/N=C1\SC(CC(=O)NCc2ccccc2)C(=O)N1CC.
What is the InChIKey of N-benzyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The InChIKey is JBGGPDZJFJSANA-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-3-17-16-19(4-2)15(21)13(22-16)10-14(20)18-11-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3,(H,18,20)/b17-16-.
What are the key properties of N-benzyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
N-benzyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide has a molecular weight of 319.43 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide is sourced from PubChem (CID 3147895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).