data_AMT
# 
_chem_comp.id                                    AMT 
_chem_comp.name                                  2-AMINOTHIAZOLE 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C3 H4 N2 S" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     1999-07-08 
_chem_comp.pdbx_modified_date                    2008-10-14 
_chem_comp.pdbx_ambiguous_flag                   N 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.pdbx_replaced_by                      ? 
_chem_comp.pdbx_replaces                         ? 
_chem_comp.formula_weight                        100.142 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     AMT 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   N 
_chem_comp.pdbx_ideal_coordinates_details        ? 
_chem_comp.pdbx_ideal_coordinates_missing_flag   N 
_chem_comp.pdbx_model_coordinates_db_code        1AEV 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  RCSB 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.alt_atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.charge 
_chem_comp_atom.pdbx_align 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_leaving_atom_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.model_Cartn_x 
_chem_comp_atom.model_Cartn_y 
_chem_comp_atom.model_Cartn_z 
_chem_comp_atom.pdbx_model_Cartn_x_ideal 
_chem_comp_atom.pdbx_model_Cartn_y_ideal 
_chem_comp_atom.pdbx_model_Cartn_z_ideal 
_chem_comp_atom.pdbx_component_atom_id 
_chem_comp_atom.pdbx_component_comp_id 
_chem_comp_atom.pdbx_ordinal 
AMT S1  S1  S 0 1 Y N N -7.590  52.647 111.378 -1.107 0.000  -0.290 S1  AMT 1  
AMT C2  C2  C 0 1 Y N N -9.027  52.236 110.530 0.175  -0.001 0.880  C2  AMT 2  
AMT N3  N3  N 0 1 Y N N -10.106 52.939 110.777 1.249  0.003  0.115  N3  AMT 3  
AMT C4  C4  C 0 1 Y N N -9.867  53.866 111.668 1.150  -0.001 -1.200 C4  AMT 4  
AMT C5  C5  C 0 1 Y N N -8.545  53.840 112.101 -0.084 -0.000 -1.755 C5  AMT 5  
AMT N   N   N 0 1 N N N -9.015  51.206 109.636 0.091  -0.001 2.264  N   AMT 6  
AMT H4  H4  H 0 1 N N N -10.656 54.560 112.001 2.034  -0.003 -1.821 H4  AMT 7  
AMT H5  H5  H 0 1 N N N -8.304  54.604 112.858 -0.372 -0.000 -2.796 H5  AMT 8  
AMT HN1 1HN H 0 1 N N N -9.868  50.962 109.132 0.900  -0.002 2.799  HN1 AMT 9  
AMT HN2 2HN H 0 1 N N N -8.667  50.371 110.108 -0.776 0.004  2.697  HN2 AMT 10 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
AMT S1 C2  SING Y N 1  
AMT S1 C5  SING Y N 2  
AMT C2 N3  DOUB Y N 3  
AMT C2 N   SING N N 4  
AMT N3 C4  SING Y N 5  
AMT C4 C5  DOUB Y N 6  
AMT C4 H4  SING N N 7  
AMT C5 H5  SING N N 8  
AMT N  HN1 SING N N 9  
AMT N  HN2 SING N N 10 
# 
loop_
_pdbx_chem_comp_descriptor.comp_id 
_pdbx_chem_comp_descriptor.type 
_pdbx_chem_comp_descriptor.program 
_pdbx_chem_comp_descriptor.program_version 
_pdbx_chem_comp_descriptor.descriptor 
AMT SMILES           ACDLabs              10.04 n1ccsc1N                                             
AMT InChI            InChI                1.02b InChI=1/C3H4N2S/c4-3-5-1-2-6-3/h1-2H,(H2,4,5)/f/h4H2 
AMT InChIKey         InChI                1.02b RAIPHJJURHTUIC-LGEMBHMGCQ                            
AMT SMILES_CANONICAL CACTVS               3.341 Nc1sccn1                                             
AMT SMILES           CACTVS               3.341 Nc1sccn1                                             
AMT SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 c1csc(n1)N                                           
AMT SMILES           "OpenEye OEToolkits" 1.5.0 c1csc(n1)N                                           
# 
loop_
_pdbx_chem_comp_identifier.comp_id 
_pdbx_chem_comp_identifier.type 
_pdbx_chem_comp_identifier.program 
_pdbx_chem_comp_identifier.program_version 
_pdbx_chem_comp_identifier.identifier 
AMT "SYSTEMATIC NAME" ACDLabs              10.04 1,3-thiazol-2-amine 
AMT "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 1,3-thiazol-2-amine 
# 
