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SDF/Mol File 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

Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of (2S)-N-cyclohexyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxamide is available for download. Click the link below to start downloading.

Download structure data file (SDF/MOL File)

The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of (2S)-N-cyclohexyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxamide molecule. It starts with a header block, followed by "connection table’, which describes the structural relationships and properties of the atoms.

The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.

3D chemical structure image 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

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

  • 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 be named differently depending on the various situations of industrial applications. Other names (synonyms) of (2S)-N-cyclohexyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxamide including the registry numbers are listed 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 (2S)-N-cyclohexyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxamide formula?
C22H27N3O2S
How many atoms and what elements are included in the (2S)-N-cyclohexyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxamide molecule?
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 kind of bonds are 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 (2S)-N-cyclohexyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxamide’s molar mass?
397.53368 g/mol
What’s the SMILES structure 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 code 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 format of (2S)-N-cyclohexyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxamide?
PLDDHOHOMKUVPV-IBGZPJMESA-N

30 The contents of this page can freely be shared if cited as follows:
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).

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