CCDC

   IsoStar 2023.3

  Home Ligand Terminal Ligand Acyclic Links Ligand Ring Systems Ligand Solvates Protein Plots Custom Plots Help




thiazole

thiazole



General| C,H only| N-H| O-H| Other N or O| Sulfur| Halo/halide| Alkali Metal| Amino acid

General
 Links to statistical data  Links to theoretical energy data
Contact Group CSD PDB Stats Theory
any C,N,O,S or H 9915 4140    
any polar X-H (X= N,O or S) 2960 1131  
* This search has not been done.

General| C,H only| N-H| O-H| Other N or O| Sulfur| Halo/halide| Alkali Metal| Amino acid

C,H only
 Links to statistical data  Links to theoretical energy data
Contact Group CSD PDB Stats Theory
any alkyl C-H 4995 1555  
methylene 1428 348  
methyl 1946 704  
any aromatic C-H 4994 840  
substituted aromatic carbon 1884 133  
phenyl 1415 178  
* This search has not been done.

General| C,H only| N-H| O-H| Other N or O| Sulfur| Halo/halide| Alkali Metal| Amino acid

N-H
 Links to statistical data  Links to theoretical energy data
Contact Group CSD PDB Stats Theory
any NH 1816 482  
any uncharged NH 794 *  
any cationic NH 64 *  
aromatic cationic N-H 18 *  
amide NH 326 224  
uncharged C(sp2)/C(ar)-NH2 83 *  
cationic RNH3 3 23  
cationic R3NH 1 *  
* This search has not been done.

General| C,H only| N-H| O-H| Other N or O| Sulfur| Halo/halide| Alkali Metal| Amino acid

O-H
 Links to statistical data  Links to theoretical energy data
Contact Group CSD PDB Stats Theory
any OH 1142 632  
alcohol OH 207 109  
phenol OH 186 50  
water 205 473  
* This search has not been done.

General| C,H only| N-H| O-H| Other N or O| Sulfur| Halo/halide| Alkali Metal| Amino acid


Other N or O
 Links to statistical data  Links to theoretical energy data
Contact Group CSD PDB Stats Theory
aromatic or sp2 N 2736 7  
cyano 144    
pyramidal R3N 10 *  
uncharged planar R3N 145 2  
cationic planar R3N 7    
any terminal O 1632 502  
any C=O 1432 502  
amide C=O 306 285  
ester C=O 339    
carboxylate 19 73  
aliphatic ether 48    
linking O in esters 196    
aromatic O 56    
sulfoxide/sulfone O 72    
nitro 176 *  
* This search has not been done.

General| C,H only| N-H| O-H| Other N or O| Sulfur| Halo/halide| Alkali Metal| Amino acid

Sulfur
 Links to statistical data  Links to theoretical energy data
Contact Group CSD PDB Stats Theory
any S 4041 61  
any C=S 83    
aliphatic thioether 28 43  
aromatic S 3330    
* This search has not been done.

General| C,H only| N-H| O-H| Other N or O| Sulfur| Halo/halide| Alkali Metal| Amino acid

Halo/Halide
 Links to statistical data  Links to theoretical energy data
Contact Group CSD PDB Stats Theory
any C-F 441    
any C-Cl 516    
any C-Br 218    
any C-I 57    
chloride ion 26    
bromide ion 19    
iodide ion 3    
* This search has not been done.

General| C,H only| N-H| O-H| Other N or O| Sulfur| Halo/Halide| Alkali Metal| Amino acid

Alkali Metal
 Links to statistical data  Links to theoretical energy data
Contact Group CSD PDB Stats Theory
lithium ion        
sodium ion 3    
potassium ion 10    
rubidium ion        
cesuim ion 2    
* This search has not been done.

General| C,H only| N-H| O-H| Other N or O| Sulfur| Halo/halide| Alkali Metal| Amino acid

Amino acid
 Links to statistical data  Links to theoretical energy data
Contact Group CSD PDB Stats Theory
CONH2 38 70  
imidazole * 65    
guanidinium * 41    
* This search has not been done.




Copyright © 2023 The Cambridge Crystallographic Data Centre
12 Union Road, Cambridge, CB2 1EZ, UK, +44 1223 336408
Registered in England No.2155347 Registered Charity No.800579