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

C11H19N3O2S — CID 3149567

IUPACN-ethyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
SMILESCC/N=C1\SC(CC(=O)NCC)C(=O)N1CC
InChIInChI=1S/C11H19N3O2S/c1-4-12-9(15)7-8-10(16)14(6-3)11(17-8)13-5-2/h8H,4-7H2,1-3H3,(H,12,15)/b13-11-
InChIKeyMBCUQUPGBMTRRM-QBFSEMIESA-N
MW257.36 g/mol
LogP0.85
Rot. Bonds5

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

N-ethyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide (PubChem CID 3149567) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-ethyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
PubChem CID3149567
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC NameN-ethyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
SMILESCC/N=C1\SC(CC(=O)NCC)C(=O)N1CC
InChIInChI=1S/C11H19N3O2S/c1-4-12-9(15)7-8-10(16)14(6-3)11(17-8)13-5-2/h8H,4-7H2,1-3H3,(H,12,15)/b13-11-
InChIKeyMBCUQUPGBMTRRM-QBFSEMIESA-N
XLogP0.85
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-Ethyl-2-[(Z)-ethylimino]-4-oxo-[1,3]thiazinane-6-carboxylic acid amide
CID 653394
2-(3-Ethyl-2-ethylimino-4-oxo-thiazolidin-5-yl)-N-isopropyl-acetamide
CID 3149561
N-cyclopropyl-2-(2-((2-methylpropyl)amino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)acetamide
CID 135591358
N-Butyl-2-(3-ethyl-2-ethylimino-4-oxo-thiazolidin-5-yl)-acetamide
CID 3149578
(2-{3-Ethyl-2-[(E)-ethylimino]-4-oxo-thiazolidin-5-yl}-acetyl)-urea
CID 645814
(E)-N-cyclohexyl-2-(3-ethyl-2-(ethylimino)-4-oxothiazolidin-5-yl)acetamide
CID 2937577
2-(3-Ethyl-2-ethylimino-4-oxo-thiazolidin-5-yl)acetamide
CID 3149571
N-butyl-2-[(2Z)-3-methyl-2-(methylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 3150952
2-[2-(azaethylidene)-3-methyl-4-oxo(1,3-thiazolidin-5-yl)]-N-methylacetamide
CID 3150957
N-{[3-methyl-2-(methylimino)-4-oxo-1,3-thiazolidin-5-yl]acetyl}urea
CID 3155076
2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(3-propan-2-yloxypropyl)acetamide
CID 3585488
2-[(2Z)-3-butyl-2-(butylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 3585489

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The IUPAC name of N-ethyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide (CID 3149567) is N-ethyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide.
What is the SMILES notation for N-ethyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The canonical SMILES for N-ethyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide is CC/N=C1\SC(CC(=O)NCC)C(=O)N1CC.
What is the InChIKey of N-ethyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The InChIKey is MBCUQUPGBMTRRM-QBFSEMIESA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-4-12-9(15)7-8-10(16)14(6-3)11(17-8)13-5-2/h8H,4-7H2,1-3H3,(H,12,15)/b13-11-.
What are the key properties of N-ethyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
N-ethyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide has a molecular weight of 257.36 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide is sourced from PubChem (CID 3149567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).