SDF/Mol File of 2-(4-chlorophenyl)-2-cyclopropyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethan-1-one (C19H21ClN2OS)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying 2-(4-chlorophenyl)-2-cyclopropyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethan-1-one Molecule

• Chemical structure of 2-(4-chlorophenyl)-2-cyclopropyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethan-1-one

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of 2-(4-chlorophenyl)-2-cyclopropyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethan-1-one is available in chemical structure page of 2-(4-chlorophenyl)-2-cyclopropyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethan-1-one, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• Molecular weight of 2-(4-chlorophenyl)-2-cyclopropyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethan-1-one

  The molecular weight of 2-(4-chlorophenyl)-2-cyclopropyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethan-1-one is available in molecular weight page of 2-(4-chlorophenyl)-2-cyclopropyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethan-1-one, 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 2-(4-chlorophenyl)-2-cyclopropyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethan-1-one

  The chemical formula of 2-(4-chlorophenyl)-2-cyclopropyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethan-1-one is given in chemical formula page of 2-(4-chlorophenyl)-2-cyclopropyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethan-1-one, 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 2-(4-chlorophenyl)-2-cyclopropyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethan-1-one

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of 2-(4-chlorophenyl)-2-cyclopropyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethan-1-one is:

  InChI=1S/C19H21ClN2OS/c20-16-5-3-14(4-6-16)17(13-1-2-13)19(23)22-10-7-15(8-11-22)18-21-9-12-24-18/h3-6,9,12-13,15,17H,1-2,7-8,10-11H2

  It can provide a standard way to encode the molecular information of 2-(4-chlorophenyl)-2-cyclopropyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethan-1-one 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 2-(4-chlorophenyl)-2-cyclopropyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethan-1-one is:

  InChIKey=SUETVQBRXQQABD-UHFFFAOYSA-N

  The InChIKey may allow easier web searches for 2-(4-chlorophenyl)-2-cyclopropyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethan-1-one, but it needs to be linked to the full InChI to get back to the original structure of the 2-(4-chlorophenyl)-2-cyclopropyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethan-1-one since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of 2-(4-chlorophenyl)-2-cyclopropyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethan-1-one

  The 2-(4-chlorophenyl)-2-cyclopropyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethan-1-one compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of 2-(4-chlorophenyl)-2-cyclopropyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethan-1-one including the registry numbers are listed below, if available:

  
  
  None available.

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2-(4-chlorophenyl)-2-cyclopropyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethan-1-one Identification Summary Frequently Asked Questions (FAQs)

What’s the 2-(4-chlorophenyl)-2-cyclopropyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethan-1-one formula?
C19H21ClN2OS
How many atoms and what elements are included in the 2-(4-chlorophenyl)-2-cyclopropyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethan-1-one molecule?
45 atom(s) - 21 Hydrogen atom(s), 19 Carbon atom(s), 2 Nitrogen atom(s), 1 Oxygen atom(s), 1 Sulfur atom(s), and 1 Chlorine atom(s)
How many chemical bonds and what kind of bonds are in the 2-(4-chlorophenyl)-2-cyclopropyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethan-1-one structure?
48 bond(s) - 27 non-H bond(s), 12 multiple bond(s), 4 rotatable bond(s), 1 double bond(s), 11 aromatic bond(s), 1 three-membered ring(s), 1 five-membered ring(s), 2 six-membered ring(s), 1 tertiary amide(s) (aliphatic), and 1 Thiazole(s)
What’s the 2-(4-chlorophenyl)-2-cyclopropyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethan-1-one’s molar mass?
360.90084 g/mol
What’s the SMILES structure of 2-(4-chlorophenyl)-2-cyclopropyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethan-1-one?
Clc1ccc(cc1)C(C2CC2)C(=O)N3CCC(CC3)c4nccs4
What’s the InChI code of 2-(4-chlorophenyl)-2-cyclopropyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethan-1-one?
InChI=1S/C19H21ClN2OS/c20-16-5-3-14(4-6-16)17(13-1-2-13)19(23)22-10-7-15(8-11-22)18-21-9-12-24-18/h3-6,9,12-13,15,17H,1-2,7-8,10-11H2
What’s the InChIKey format of 2-(4-chlorophenyl)-2-cyclopropyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethan-1-one?
SUETVQBRXQQABD-UHFFFAOYSA-N

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commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).