N-carbamoyl-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide

C8H12N4O3S — CID 3155076

IUPACN-carbamoyl-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
SMILESC/N=C1\SC(CC(=O)NC(N)=O)C(=O)N1C
InChIInChI=1S/C8H12N4O3S/c1-10-8-12(2)6(14)4(16-8)3-5(13)11-7(9)15/h4H,3H2,1-2H3,(H3,9,11,13,15)/b10-8-
InChIKeyYMOCTEYVGBOTDC-NTMALXAHSA-N
MW244.28 g/mol
LogP-0.87
Rot. Bonds2

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

N-carbamoyl-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide (PubChem CID 3155076) has the molecular formula C8H12N4O3S and a molecular weight of 244.28 g/mol. Its IUPAC name is N-carbamoyl-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
PubChem CID3155076
Molecular FormulaC8H12N4O3S
Molecular Weight244.28 g/mol
Exact Mass244.06
IUPAC NameN-carbamoyl-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
SMILESC/N=C1\SC(CC(=O)NC(N)=O)C(=O)N1C
InChIInChI=1S/C8H12N4O3S/c1-10-8-12(2)6(14)4(16-8)3-5(13)11-7(9)15/h4H,3H2,1-2H3,(H3,9,11,13,15)/b10-8-
InChIKeyYMOCTEYVGBOTDC-NTMALXAHSA-N
XLogP-0.87
TPSA104.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 5-0.87
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

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
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-[(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-ethyl-2-(3-methyl-2-(methylimino)-4-oxothiazolidin-5-yl)acetamide
CID 3149576
2-(3-Methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 5226175
1-methyl-2,5-dioxo-3-pyrrolidinyl N,N'-diethylimidothiocarbamate
CID 5338468
1-[(4,5-Dihydro-1,3-thiazol-2-ylamino)methyl]pyrrolidine-2,5-dione
CID 70598276

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The IUPAC name of N-carbamoyl-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide (CID 3155076) is N-carbamoyl-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide.
What is the SMILES notation for N-carbamoyl-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The canonical SMILES for N-carbamoyl-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide is C/N=C1\SC(CC(=O)NC(N)=O)C(=O)N1C.
What is the InChIKey of N-carbamoyl-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The InChIKey is YMOCTEYVGBOTDC-NTMALXAHSA-N. The full InChI is InChI=1S/C8H12N4O3S/c1-10-8-12(2)6(14)4(16-8)3-5(13)11-7(9)15/h4H,3H2,1-2H3,(H3,9,11,13,15)/b10-8-.
What are the key properties of N-carbamoyl-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
N-carbamoyl-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide has a molecular weight of 244.28 g/mol, XLogP of -0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide is sourced from PubChem (CID 3155076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).