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

C12H21N3O2S — CID 3149561

IUPAC2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-propan-2-ylacetamide
SMILESCC/N=C1\SC(CC(=O)NC(C)C)C(=O)N1CC
InChIInChI=1S/C12H21N3O2S/c1-5-13-12-15(6-2)11(17)9(18-12)7-10(16)14-8(3)4/h8-9H,5-7H2,1-4H3,(H,14,16)/b13-12-
InChIKeyUMELFLPWUSAFDZ-SEYXRHQNSA-N
MW271.39 g/mol
LogP1.24
Rot. Bonds5

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

2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-propan-2-ylacetamide (PubChem CID 3149561) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-propan-2-ylacetamide
PubChem CID3149561
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-propan-2-ylacetamide
SMILESCC/N=C1\SC(CC(=O)NC(C)C)C(=O)N1CC
InChIInChI=1S/C12H21N3O2S/c1-5-13-12-15(6-2)11(17)9(18-12)7-10(16)14-8(3)4/h8-9H,5-7H2,1-4H3,(H,14,16)/b13-12-
InChIKeyUMELFLPWUSAFDZ-SEYXRHQNSA-N
XLogP1.24
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.24
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

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
N-Ethyl-2-(3-ethyl-2-ethylimino-4-oxo-thiazolidin-5-yl)-acetamide
CID 3149567
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
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
2-[2-(azaethylidene)-4-oxo(1,3-thiazolidin-5-yl)]-N-ethylacetamide
CID 135511729
2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)-N-(propan-2-yl)acetamide
CID 3149563

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-propan-2-ylacetamide (CID 3149561) is 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-propan-2-ylacetamide is CC/N=C1\SC(CC(=O)NC(C)C)C(=O)N1CC.
What is the InChIKey of 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-propan-2-ylacetamide?
The InChIKey is UMELFLPWUSAFDZ-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-5-13-12-15(6-2)11(17)9(18-12)7-10(16)14-8(3)4/h8-9H,5-7H2,1-4H3,(H,14,16)/b13-12-.
What are the key properties of 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-propan-2-ylacetamide?
2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-propan-2-ylacetamide has a molecular weight of 271.39 g/mol, XLogP of 1.24, 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-propan-2-ylacetamide is sourced from PubChem (CID 3149561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).