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

C8H13N3O2S — CID 135511729

IUPACN-ethyl-2-(2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
SMILESCCNC(=O)CC1S/C(=N\C)NC1=O
InChIInChI=1S/C8H13N3O2S/c1-3-10-6(12)4-5-7(13)11-8(9-2)14-5/h5H,3-4H2,1-2H3,(H,10,12)(H,9,11,13)
InChIKeyGSWNUDGEVBIAFV-UHFFFAOYSA-N
MW215.28 g/mol
LogP-0.27
Rot. Bonds3

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

N-ethyl-2-(2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide (PubChem CID 135511729) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is N-ethyl-2-(2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
PubChem CID135511729
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC NameN-ethyl-2-(2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
SMILESCCNC(=O)CC1S/C(=N\C)NC1=O
InChIInChI=1S/C8H13N3O2S/c1-3-10-6(12)4-5-7(13)11-8(9-2)14-5/h5H,3-4H2,1-2H3,(H,10,12)(H,9,11,13)
InChIKeyGSWNUDGEVBIAFV-UHFFFAOYSA-N
XLogP-0.27
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
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-ethyl-2-(2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The IUPAC name of N-ethyl-2-(2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide (CID 135511729) is N-ethyl-2-(2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide.
What is the SMILES notation for N-ethyl-2-(2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The canonical SMILES for N-ethyl-2-(2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide is CCNC(=O)CC1S/C(=N\C)NC1=O.
What is the InChIKey of N-ethyl-2-(2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The InChIKey is GSWNUDGEVBIAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-3-10-6(12)4-5-7(13)11-8(9-2)14-5/h5H,3-4H2,1-2H3,(H,10,12)(H,9,11,13).
What are the key properties of N-ethyl-2-(2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
N-ethyl-2-(2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide has a molecular weight of 215.28 g/mol, XLogP of -0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide is sourced from PubChem (CID 135511729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).