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

C13H23N3O2S — CID 3149578

IUPACN-butyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
SMILESCCCCNC(=O)CC1S/C(=N\CC)N(CC)C1=O
InChIInChI=1S/C13H23N3O2S/c1-4-7-8-15-11(17)9-10-12(18)16(6-3)13(19-10)14-5-2/h10H,4-9H2,1-3H3,(H,15,17)/b14-13-
InChIKeyMVXUPXZUORBHGL-YPKPFQOOSA-N
MW285.41 g/mol
LogP1.63
Rot. Bonds7

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

N-butyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide (PubChem CID 3149578) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-butyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
PubChem CID3149578
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC NameN-butyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
SMILESCCCCNC(=O)CC1S/C(=N\CC)N(CC)C1=O
InChIInChI=1S/C13H23N3O2S/c1-4-7-8-15-11(17)9-10-12(18)16(6-3)13(19-10)14-5-2/h10H,4-9H2,1-3H3,(H,15,17)/b14-13-
InChIKeyMVXUPXZUORBHGL-YPKPFQOOSA-N
XLogP1.63
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
(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
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-butyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The IUPAC name of N-butyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide (CID 3149578) is N-butyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide.
What is the SMILES notation for N-butyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The canonical SMILES for N-butyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide is CCCCNC(=O)CC1S/C(=N\CC)N(CC)C1=O.
What is the InChIKey of N-butyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The InChIKey is MVXUPXZUORBHGL-YPKPFQOOSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-4-7-8-15-11(17)9-10-12(18)16(6-3)13(19-10)14-5-2/h10H,4-9H2,1-3H3,(H,15,17)/b14-13-.
What are the key properties of N-butyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
N-butyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide has a molecular weight of 285.41 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide is sourced from PubChem (CID 3149578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).