Formula of Ethyl [(2-imino-1,3-thiazol-3(2H)-yl)acetyl]carbamate (C8H11N3O3S)

Chemical Formula Description

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

• 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 providing the information about the atoms, bonds, connectivity and coordinates of ethyl [(2-imino-1,3-thiazol-3(2H)-yl)acetyl]carbamate, which is not completely available in the chemical formula representation. The ethyl [(2-imino-1,3-thiazol-3(2H)-yl)acetyl]carbamate structure data file can be imported to most of the cheminformatics software for further analysis and visualization.

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

  The chemical structure image of ethyl [(2-imino-1,3-thiazol-3(2H)-yl)acetyl]carbamate is available in chemical structure page of ethyl [(2-imino-1,3-thiazol-3(2H)-yl)acetyl]carbamate, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of ethyl [(2-imino-1,3-thiazol-3(2H)-yl)acetyl]carbamate and the chemical bonds that hold the atoms together.

• 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 specified in the chemical formula of ethyl [(2-imino-1,3-thiazol-3(2H)-yl)acetyl]carbamate.

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• InChI (IUPAC International Chemical Identifier) information of ethyl [(2-imino-1,3-thiazol-3(2H)-yl)acetyl]carbamate

  The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of ethyl [(2-imino-1,3-thiazol-3(2H)-yl)acetyl]carbamate is:

  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-

  It can provide a standard way to encode the molecular information of ethyl [(2-imino-1,3-thiazol-3(2H)-yl)acetyl]carbamate to facilitate the search for the compound information in databases and on the web.
  
  

  The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of ethyl [(2-imino-1,3-thiazol-3(2H)-yl)acetyl]carbamate is:

  InChIKey=YVLFYAVIECHDGV-CLFYSBASSA-N

  The InChIKey may allow easier web searches for ethyl [(2-imino-1,3-thiazol-3(2H)-yl)acetyl]carbamate, but it needs to be linked to the full InChI to get back to the original structure of the ethyl [(2-imino-1,3-thiazol-3(2H)-yl)acetyl]carbamate since the full standard InChI cannot be reconstructed from the InChIKey.

• 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 have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of ethyl [(2-imino-1,3-thiazol-3(2H)-yl)acetyl]carbamate including the registry numbers is given below, 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 they in the ethyl [(2-imino-1,3-thiazol-3(2H)-yl)acetyl]carbamate structure?
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 are they in 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 molecular weight of ethyl [(2-imino-1,3-thiazol-3(2H)-yl)acetyl]carbamate?
229.25624 g/mol
What’s the SMILES string of ethyl [(2-imino-1,3-thiazol-3(2H)-yl)acetyl]carbamate?
CCOC(=O)NC(=O)Cn1ccsc1=N
What’s the InChI 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 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).