2354167
  -OEChem-04272400502D

 28 30  0     0  0  0  0  0  0999 V2000
    2.0000   -4.0259    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.0289   -0.2342    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601   -2.7658    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.8424   -2.0613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4411   -1.0432    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7199    0.7168    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3949    2.8046    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5289    1.3046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5289    2.3046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0289   -0.2342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601   -2.7658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3379    0.7168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8479   -1.9568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6629    2.8046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691   -3.7168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -4.3046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6629    3.8046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511   -3.7168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5289    4.3046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3949    3.8046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8245   -0.9784    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9276    0.9084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1259    2.4946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1588   -3.9084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -4.9246    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1259    4.1146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5289    4.9246    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9319    4.1146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2 10  1  0  0  0  0
  2 12  1  0  0  0  0
  3 11  1  0  0  0  0
  3 18  1  0  0  0  0
  4 13  2  0  0  0  0
  5 10  1  0  0  0  0
  5 13  1  0  0  0  0
  5 21  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  2  0  0  0  0
  7  9  1  0  0  0  0
  7 20  2  0  0  0  0
  8  9  1  0  0  0  0
  8 12  2  0  0  0  0
  9 14  2  0  0  0  0
 11 13  1  0  0  0  0
 11 15  2  0  0  0  0
 12 22  1  0  0  0  0
 14 17  1  0  0  0  0
 14 23  1  0  0  0  0
 15 16  1  0  0  0  0
 15 24  1  0  0  0  0
 16 18  2  0  0  0  0
 16 25  1  0  0  0  0
 17 19  2  0  0  0  0
 17 26  1  0  0  0  0
 19 20  1  0  0  0  0
 19 27  1  0  0  0  0
 20 28  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
2354167

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
361

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIABgEAAAAAAAAAAAAAAAAWJAAAAsAAAAAAAAAAAB+AAAHgRQAAABKAjF1gS9kZLIEAisATV3dACD8Kl1Cj1J2D04ZPiIYPLgnZGUIQhogQLoy7cYgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-bromo-N-[4-(2-pyridyl)thiazol-2-yl]thiophene-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
5-bromo-N-[4-(2-pyridinyl)-2-thiazolyl]-2-thiophenecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-bromo-<I>N</I>-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
5-bromo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-bromanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-bromo-N-[4-(2-pyridyl)thiazol-2-yl]thiophene-2-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H8BrN3OS2/c14-11-5-4-10(20-11)12(18)17-13-16-9(7-19-13)8-3-1-2-6-15-8/h1-7H,(H,16,17,18)

> <PUBCHEM_IUPAC_INCHIKEY>
ZJNFOQABHVJICF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.8

> <PUBCHEM_EXACT_MASS>
364.92922

> <PUBCHEM_MOLECULAR_FORMULA>
C13H8BrN3OS2

> <PUBCHEM_MOLECULAR_WEIGHT>
366.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=NC(=C1)C2=CSC(=N2)NC(=O)C3=CC=C(S3)Br

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=NC(=C1)C2=CSC(=N2)NC(=O)C3=CC=C(S3)Br

> <PUBCHEM_CACTVS_TPSA>
111

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
364.92922

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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  15  8
14  17  8
15  16  8
16  18  8
17  19  8
19  20  8
2  10  8
2  12  8
3  11  8
3  18  8
6  10  8
6  8  8
7  20  8
7  9  8
8  12  8
9  14  8

$$$$