Structure & Deep Data of Ethyl [(2-imino-1,3-thiazol-3(2H)-yl)acetyl]carbamate (C8H11N3O3S)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The ethyl [(2-imino-1,3-thiazol-3(2H)-yl)acetyl]carbamate molecule contains a total of 26 bond(s). There are 15 non-H bond(s), 4 multiple bond(s), 4 rotatable bond(s), 4 double bond(s), 1 five-membered ring(s), 1 (thio-) carbamate(s) (aliphatic), 1 tertiary amine(s) (aliphatic), 1 imide(s) (-thio), and 1 sulfide(s). Images of the chemical structure of ethyl [(2-imino-1,3-thiazol-3(2H)-yl)acetyl]carbamate are given below:

The 2D chemical structure image of ethyl [(2-imino-1,3-thiazol-3(2H)-yl)acetyl]carbamate is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of ethyl [(2-imino-1,3-thiazol-3(2H)-yl)acetyl]carbamate are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of ethyl [(2-imino-1,3-thiazol-3(2H)-yl)acetyl]carbamate is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of ethyl [(2-imino-1,3-thiazol-3(2H)-yl)acetyl]carbamate. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Ethyl [(2-imino-1,3-thiazol-3(2H)-yl)acetyl]carbamate Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of ethyl [(2-imino-1,3-thiazol-3(2H)-yl)acetyl]carbamate

  The SMILES string of ethyl [(2-imino-1,3-thiazol-3(2H)-yl)acetyl]carbamate is CCOC(=O)NC(=O)Cn1ccsc1=N, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the ethyl [(2-imino-1,3-thiazol-3(2H)-yl)acetyl]carbamate.

• Structure Data File (SDF/MOL File) of ethyl [(2-imino-1,3-thiazol-3(2H)-yl)acetyl]carbamate

  The structure data file (SDF/MOL File) of ethyl [(2-imino-1,3-thiazol-3(2H)-yl)acetyl]carbamate is available for download in the SDF page of ethyl [(2-imino-1,3-thiazol-3(2H)-yl)acetyl]carbamate, which provides the information about the atoms, bonds, connectivity and coordinates of ethyl [(2-imino-1,3-thiazol-3(2H)-yl)acetyl]carbamate. The ethyl [(2-imino-1,3-thiazol-3(2H)-yl)acetyl]carbamate structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of ethyl [(2-imino-1,3-thiazol-3(2H)-yl)acetyl]carbamate

  The molecular formula of ethyl [(2-imino-1,3-thiazol-3(2H)-yl)acetyl]carbamate is available in chemical formula page of ethyl [(2-imino-1,3-thiazol-3(2H)-yl)acetyl]carbamate, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of ethyl [(2-imino-1,3-thiazol-3(2H)-yl)acetyl]carbamate

  The molecular weight of ethyl [(2-imino-1,3-thiazol-3(2H)-yl)acetyl]carbamate is available in molecular weight page of ethyl [(2-imino-1,3-thiazol-3(2H)-yl)acetyl]carbamate, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

• Other names (synonyms) or registry numbers of ethyl [(2-imino-1,3-thiazol-3(2H)-yl)acetyl]carbamate

  The ethyl [(2-imino-1,3-thiazol-3(2H)-yl)acetyl]carbamate compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of ethyl [(2-imino-1,3-thiazol-3(2H)-yl)acetyl]carbamate including the various registry numbers, if available:

  • ethyl N-[2-(2-imino-1,3-thiazol-3-yl)acetyl]carbamate
  • Ethyl (2-(2-iminothiazol-3(2H)-yl)acetyl)carbamate
  • T4215
  • MFCD18064589
  • ZX-AN013493
  • ALBB-014781
  • 1255147-25-1
  • ethyl [(2-imino-1,3-thiazol-3(2H)-yl)acetyl]carbamate

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Ethyl [(2-imino-1,3-thiazol-3(2H)-yl)acetyl]carbamate Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of ethyl [(2-imino-1,3-thiazol-3(2H)-yl)acetyl]carbamate?
C8H11N3O3S
How many atoms and what are the elements included the ethyl [(2-imino-1,3-thiazol-3(2H)-yl)acetyl]carbamate molecule?
26 atom(s) - 11 Hydrogen atom(s), 8 Carbon atom(s), 3 Nitrogen atom(s), 3 Oxygen atom(s), and 1 Sulfur atom(s)
How many chemical bonds and what kind of bonds are included the ethyl [(2-imino-1,3-thiazol-3(2H)-yl)acetyl]carbamate structure?
26 bond(s) - 15 non-H bond(s), 4 multiple bond(s), 4 rotatable bond(s), 4 double bond(s), 1 five-membered ring(s), 1 (thio-) carbamate(s) (aliphatic), 1 tertiary amine(s) (aliphatic), 1 imide(s) (-thio), and 1 sulfide(s)
What’s the ethyl [(2-imino-1,3-thiazol-3(2H)-yl)acetyl]carbamate’s molecular weight?
229.25624 g/mol
What’s the SMILES code of ethyl [(2-imino-1,3-thiazol-3(2H)-yl)acetyl]carbamate?
CCOC(=O)NC(=O)Cn1ccsc1=N
What’s the InChI string of ethyl [(2-imino-1,3-thiazol-3(2H)-yl)acetyl]carbamate?
InChI=1S/C8H11N3O3S/c1-2-14-8(13)10-6(12)5-11-3-4-15-7(11)9/h3-4,9H,2,5H2,1H3,(H,10,12,13)/b9-7-
What’s the InChIKey code of ethyl [(2-imino-1,3-thiazol-3(2H)-yl)acetyl]carbamate?
YVLFYAVIECHDGV-CLFYSBASSA-N

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Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).