5228
  -OEChem-10121500462D

 33 36  0     0  0  0  0  0  0999 V2000
    8.4851   -2.2028    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3981    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.5388   -0.8981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5878   -2.2071    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6607    2.2641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4851   -0.5933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5878   -0.5891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5388   -1.8981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0687   -1.3981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -1.3981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2788    0.3620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -1.3981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3006    0.5699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9479    1.1051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -0.5321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -2.2641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -0.5321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -2.2641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9916    1.5210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6389    2.0562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.3981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0224   -0.2841    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2340   -0.0264    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5295   -1.8128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5295   -0.9834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8858    0.1092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5544    0.9762    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8100    0.0049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8100   -2.8010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1900    0.0049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1900   -2.8010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3852    1.6499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0537    2.5169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2 21  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  8  2  0  0  0  0
  4 10  1  0  0  0  0
  5 19  2  0  0  0  0
  5 20  1  0  0  0  0
  6  9  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 19  1  0  0  0  0
 13 26  1  0  0  0  0
 14 20  2  0  0  0  0
 14 27  1  0  0  0  0
 15 17  1  0  0  0  0
 15 28  1  0  0  0  0
 16 18  2  0  0  0  0
 16 29  1  0  0  0  0
 17 21  2  0  0  0  0
 17 30  1  0  0  0  0
 18 21  1  0  0  0  0
 18 31  1  0  0  0  0
 19 32  1  0  0  0  0
 20 33  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5228

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
355

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7AQBAAAAAAAAAAAAAAAAAAWLAAAA8QAAAAAAWAAAB8AAAHQQAAAAADAjFXgy9kJcMEAigAzRnZACC0C1xErAJ2CA4dJiIaOLAmZGUIAhogALIyCcQgMAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6-(4-fluorophenyl)-5-(4-pyridyl)-2,3-dihydroimidazo[2,1-b]thiazole

> <PUBCHEM_IUPAC_CAS_NAME>
6-(4-fluorophenyl)-5-pyridin-4-yl-2,3-dihydroimidazo[2,1-b]thiazole

> <PUBCHEM_IUPAC_NAME>
6-(4-fluorophenyl)-5-pyridin-4-yl-2,3-dihydroimidazo[2,1-b][1,3]thiazole

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6-(4-fluorophenyl)-5-pyridin-4-yl-2,3-dihydroimidazo[2,1-b][1,3]thiazole

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
6-(4-fluorophenyl)-5-(4-pyridyl)-2,3-dihydroimidazo[2,1-b]thiazole

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H12FN3S/c17-13-3-1-11(2-4-13)14-15(12-5-7-18-8-6-12)20-9-10-21-16(20)19-14/h1-8H,9-10H2

> <PUBCHEM_IUPAC_INCHIKEY>
YOELZIQOLWZLQC-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.9

> <PUBCHEM_EXACT_MASS>
297.073597

> <PUBCHEM_MOLECULAR_FORMULA>
C16H12FN3S

> <PUBCHEM_MOLECULAR_WEIGHT>
297.349983

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CSC2=NC(=C(N21)C3=CC=NC=C3)C4=CC=C(C=C4)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CSC2=NC(=C(N21)C3=CC=NC=C3)C4=CC=C(C=C4)F

> <PUBCHEM_CACTVS_TPSA>
56

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
297.073597

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <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>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  13  8
11  14  8
12  15  8
12  16  8
13  19  8
14  20  8
15  17  8
16  18  8
17  21  8
18  21  8
3  7  8
3  8  8
4  10  8
4  8  8
5  19  8
5  20  8
7  10  8

$$$$