Home Chemical Formula (2S)-N-cyclohexyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxamide

Chemical Formula of (2S)-N-cyclohexyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxamide (C22H27N3O2S)

Identification of (2S)-N-cyclohexyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxamide Chemical Compound

2D chemical structure image of (2S)-N-cyclohexyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxamide
Chemical Formula C22H27N3O2S
Molecular Weight 397.53368 g/mol
IUPAC Name (2S)-N-cyclohexyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxamide
SMILES String O=C(NC1CCCCC1)C2CCCN2C(=O)Cc3csc(n3)c4ccccc4
InChI InChI=1S/C22H27N3O2S/c26-20(14-18-15-28-22(24-18)16-8-3-1-4-9-16)25-13-7-12-19(25)21(27)23-17-10-5-2-6-11-17/h1,3-4,8-9,15,17,19H,2,5-7,10-14H2,(H,23,27)/t19-/m0/s1
InChIKey PLDDHOHOMKUVPV-IBGZPJMESA-N

Chemical Formula Description

The (2S)-N-cyclohexyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxamide molecule contains a total of 55 atom(s). There are 27 Hydrogen atom(s), 22 Carbon atom(s), 3 Nitrogen atom(s), 2 Oxygen atom(s) and 1 Sulfur atom(s). A chemical formula of (2S)-N-cyclohexyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxamide can therefore be written as:

C22H27N3O2S

The chemical formula of (2S)-N-cyclohexyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxamide shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type.

The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula.

Ball-and-stick model of (2S)-N-cyclohexyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxamide
Ball-and-stick model of (2S)-N-cyclohexyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxamide

Additional Information for Identifying (2S)-N-cyclohexyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxamide Molecule


  • InChI (IUPAC International Chemical Identifier) information of (2S)-N-cyclohexyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxamide

    The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of (2S)-N-cyclohexyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxamide is:

    InChI=1S/C22H27N3O2S/c26-20(14-18-15-28-22(24-18)16-8-3-1-4-9-16)25-13-7-12-19(25)21(27)23-17-10-5-2-6-11-17/h1,3-4,8-9,15,17,19H,2,5-7,10-14H2,(H,23,27)/t19-/m0/s1

    It can provide a standard way to encode the molecular information of (2S)-N-cyclohexyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxamide 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 (2S)-N-cyclohexyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxamide is:

    InChIKey=PLDDHOHOMKUVPV-IBGZPJMESA-N

    The InChIKey may allow easier web searches for (2S)-N-cyclohexyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxamide, but it needs to be linked to the full InChI to get back to the original structure of the (2S)-N-cyclohexyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxamide since the full standard InChI cannot be reconstructed from the InChIKey.

  • Other names (synonyms) or registry numbers of (2S)-N-cyclohexyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxamide

    The (2S)-N-cyclohexyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxamide compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of (2S)-N-cyclohexyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxamide including the registry numbers is given below, if available:



    None available.


(2S)-N-cyclohexyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxamide Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of (2S)-N-cyclohexyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxamide?
C22H27N3O2S
How many atoms and what are they in the (2S)-N-cyclohexyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxamide structure?
55 atom(s) – 27 Hydrogen atom(s), 22 Carbon atom(s), 3 Nitrogen atom(s), 2 Oxygen atom(s) and 1 Sulfur atom(s)
How many chemical bonds and what are they in the (2S)-N-cyclohexyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxamide structure?
58 bond(s) – 31 non-H bond(s), 13 multiple bond(s), 5 rotatable bond(s), 2 double bond(s), 11 aromatic bond(s), 2 five-membered ring(s), 2 six-membered ring(s), 1 secondary amide(s) (aliphatic), 1 tertiary amide(s) (aliphatic), 1 Pyrrolidine(s) and 1 Thiazole(s)
What’s the molecular weight of (2S)-N-cyclohexyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxamide?
397.53368 g/mol
What’s the SMILES string of (2S)-N-cyclohexyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxamide?
O=C(NC1CCCCC1)C2CCCN2C(=O)Cc3csc(n3)c4ccccc4
What’s the InChI of (2S)-N-cyclohexyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxamide?
InChI=1S/C22H27N3O2S/c26-20(14-18-15-28-22(24-18)16-8-3-1-4-9-16)25-13-7-12-19(25)21(27)23-17-10-5-2-6-11-17/h1,3-4,8-9,15,17,19H,2,5-7,10-14H2,(H,23,27)/t19-/m0/s1
What’s the InChIKey of (2S)-N-cyclohexyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxamide?
PLDDHOHOMKUVPV-IBGZPJMESA-N

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