N-(3-ethoxyphenyl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide

C13H15N3O3S — CID 137318920

IUPACN-(3-ethoxyphenyl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide
SMILES[H]/N=C1\NC(=O)C(CC(=O)Nc2cccc(OCC)c2)S1
InChIInChI=1S/C13H15N3O3S/c1-2-19-9-5-3-4-8(6-9)15-11(17)7-10-12(18)16-13(14)20-10/h3-6,10H,2,7H2,1H3,(H,15,17)(H2,14,16,18)
InChIKeyOLFIBPOOEMWIME-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.58
Rot. Bonds5

About N-(3-ethoxyphenyl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide

N-(3-ethoxyphenyl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide (PubChem CID 137318920) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is N-(3-ethoxyphenyl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-ethoxyphenyl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide
PubChem CID137318920
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC NameN-(3-ethoxyphenyl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide
SMILES[H]/N=C1\NC(=O)C(CC(=O)Nc2cccc(OCC)c2)S1
InChIInChI=1S/C13H15N3O3S/c1-2-19-9-5-3-4-8(6-9)15-11(17)7-10-12(18)16-13(14)20-10/h3-6,10H,2,7H2,1H3,(H,15,17)(H2,14,16,18)
InChIKeyOLFIBPOOEMWIME-UHFFFAOYSA-N
XLogP1.58
TPSA91.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(3-ethoxyphenyl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The IUPAC name of N-(3-ethoxyphenyl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide (CID 137318920) is N-(3-ethoxyphenyl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide.
What is the SMILES notation for N-(3-ethoxyphenyl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The canonical SMILES for N-(3-ethoxyphenyl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide is [H]/N=C1\NC(=O)C(CC(=O)Nc2cccc(OCC)c2)S1.
What is the InChIKey of N-(3-ethoxyphenyl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The InChIKey is OLFIBPOOEMWIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-2-19-9-5-3-4-8(6-9)15-11(17)7-10-12(18)16-13(14)20-10/h3-6,10H,2,7H2,1H3,(H,15,17)(H2,14,16,18).
What are the key properties of N-(3-ethoxyphenyl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
N-(3-ethoxyphenyl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide has a molecular weight of 293.35 g/mol, XLogP of 1.58, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyphenyl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide is sourced from PubChem (CID 137318920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).