SDF/Mol File of Ethyl [(2-imino-1,3-thiazol-3(2H)-yl)acetyl]carbamate (C8H11N3O3S)

Structure Data File (SDF/MOL File) Description

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

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

  By visualizing the structure data file (SDF/MOL File) above, 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 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 masses of each constituent element multiplied by the number of atoms of that element.

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

  The chemical formula of ethyl [(2-imino-1,3-thiazol-3(2H)-yl)acetyl]carbamate is given 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.

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

  An alternative way of expressing structural information in text format 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 be named differently depending on the various situations of industrial applications. Other names (synonyms) of ethyl [(2-imino-1,3-thiazol-3(2H)-yl)acetyl]carbamate including the registry numbers are listed 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 ethyl [(2-imino-1,3-thiazol-3(2H)-yl)acetyl]carbamate formula?
C8H11N3O3S
How many atoms and what elements are included in 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 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 ethyl [(2-imino-1,3-thiazol-3(2H)-yl)acetyl]carbamate’s molar mass?
229.25624 g/mol
What’s the SMILES structure of ethyl [(2-imino-1,3-thiazol-3(2H)-yl)acetyl]carbamate?
CCOC(=O)NC(=O)Cn1ccsc1=N
What’s the InChI code 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 format 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).