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

C10H16N4O3S — CID 645814

IUPACN-carbamoyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
SMILESCC/N=C1\SC(CC(=O)NC(N)=O)C(=O)N1CC
InChIInChI=1S/C10H16N4O3S/c1-3-12-10-14(4-2)8(16)6(18-10)5-7(15)13-9(11)17/h6H,3-5H2,1-2H3,(H3,11,13,15,17)/b12-10-
InChIKeyYMRGFUPHZQHMLB-BENRWUELSA-N
MW272.33 g/mol
LogP-0.09
Rot. Bonds4

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

N-carbamoyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide (PubChem CID 645814) has the molecular formula C10H16N4O3S and a molecular weight of 272.33 g/mol. Its IUPAC name is N-carbamoyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
PubChem CID645814
Molecular FormulaC10H16N4O3S
Molecular Weight272.33 g/mol
Exact Mass272.09
IUPAC NameN-carbamoyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
SMILESCC/N=C1\SC(CC(=O)NC(N)=O)C(=O)N1CC
InChIInChI=1S/C10H16N4O3S/c1-3-12-10-14(4-2)8(16)6(18-10)5-7(15)13-9(11)17/h6H,3-5H2,1-2H3,(H3,11,13,15,17)/b12-10-
InChIKeyYMRGFUPHZQHMLB-BENRWUELSA-N
XLogP-0.09
TPSA104.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-Ethyl-2-ethylimino-4-oxo-thiazolidin-5-yl)-N-isopropyl-acetamide
CID 3149561
N-Butyl-2-(3-ethyl-2-ethylimino-4-oxo-thiazolidin-5-yl)-acetamide
CID 3149578
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-[(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
(E)-N-isopropyl-2-(3-methyl-2-(methylimino)-4-oxothiazolidin-5-yl)acetamide
CID 3149565
(E)-N-ethyl-2-(3-methyl-2-(methylimino)-4-oxothiazolidin-5-yl)acetamide
CID 3149576
1-methyl-2,5-dioxo-3-pyrrolidinyl N,N'-diethylimidothiocarbamate
CID 5338468

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The IUPAC name of N-carbamoyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide (CID 645814) is N-carbamoyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide.
What is the SMILES notation for N-carbamoyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The canonical SMILES for N-carbamoyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide is CC/N=C1\SC(CC(=O)NC(N)=O)C(=O)N1CC.
What is the InChIKey of N-carbamoyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The InChIKey is YMRGFUPHZQHMLB-BENRWUELSA-N. The full InChI is InChI=1S/C10H16N4O3S/c1-3-12-10-14(4-2)8(16)6(18-10)5-7(15)13-9(11)17/h6H,3-5H2,1-2H3,(H3,11,13,15,17)/b12-10-.
What are the key properties of N-carbamoyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
N-carbamoyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide has a molecular weight of 272.33 g/mol, XLogP of -0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide is sourced from PubChem (CID 645814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).