68778066
  -OEChem-04252413272D

 33 34  0     0  0  0  0  0  0999 V2000
    6.9162    3.8932    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2320    5.1588    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6200    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8198    5.9679    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9954    7.5859    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5411    4.2078    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9230    4.2078    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4131    6.8814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8144    5.8633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0009    7.6904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4021    6.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2320    5.1588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9824    7.3274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8991    6.5347    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6435    5.2674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3716    5.5915    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1718    8.2864    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4436    7.9622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8328    6.2264    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9162    7.0190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3598    8.0875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3291    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9162    3.8932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 33  1  0  0  0  0
  2  7  1  0  0  0  0
  2 12  1  0  0  0  0
  3 15  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 12  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 28  1  0  0  0  0
  6 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 13  2  0  0  0  0
  8 10  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 11  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 29  1  0  0  0  0
 17 19  1  0  0  0  0
 17 30  1  0  0  0  0
 18 19  2  0  0  0  0
 18 31  1  0  0  0  0
 19 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
68778066

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
275

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzgQBEAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAAABwAAAHQQQQAAADADBGwwxEIfIEACkAiJiJACC0AkgAKgJiKAoBJiIaKKAmRGUIAhokAKIiAcQgAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-(2-fluorophenyl)-5-piperazin-1-yl-1,2,4-thiadiazole;hydrochloride

> <PUBCHEM_IUPAC_CAS_NAME>
3-(2-fluorophenyl)-5-(1-piperazinyl)-1,2,4-thiadiazole;hydrochloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-(2-fluorophenyl)-5-piperazin-1-yl-1,2,4-thiadiazole;hydrochloride

> <PUBCHEM_IUPAC_NAME>
3-(2-fluorophenyl)-5-piperazin-1-yl-1,2,4-thiadiazole;hydrochloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-(2-fluorophenyl)-5-piperazin-1-yl-1,2,4-thiadiazole;hydrochloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-(2-fluorophenyl)-5-piperazino-1,2,4-thiadiazole;hydrochloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H13FN4S.ClH/c13-10-4-2-1-3-9(10)11-15-12(18-16-11)17-7-5-14-6-8-17;/h1-4,14H,5-8H2;1H

> <PUBCHEM_IUPAC_INCHIKEY>
UJQMHDQPCMYHCV-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
300.0611735

> <PUBCHEM_MOLECULAR_FORMULA>
C12H14ClFN4S

> <PUBCHEM_MOLECULAR_WEIGHT>
300.78

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CN(CCN1)C2=NC(=NS2)C3=CC=CC=C3F.Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CN(CCN1)C2=NC(=NS2)C3=CC=CC=C3F.Cl

> <PUBCHEM_CACTVS_TPSA>
69.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
300.0611735

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
14  15  8
14  16  8
15  17  8
16  18  8
17  19  8
18  19  8
2  12  8
2  7  8
6  12  8
6  13  8
7  13  8

$$$$