64542879
  -OEChem-04262412472D

 37 38  0     1  0  0  0  0  0999 V2000
    6.2731    0.8026    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.7852    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2852    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.7852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.7852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7830    3.4762    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6551    0.8026    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3763    2.5626    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9641    1.7536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3818    2.4581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641    1.7536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1953    4.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -4.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9929    2.6275    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3170    3.0747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7652    2.3933    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4466    1.8415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3997    3.5410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3285    2.2552    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -0.9752    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.9752    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6969    4.6496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8308    4.7868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6937    3.9208    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.5952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.9052    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0201   -4.8222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -4.5952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6401   -3.7483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 13  1  0  0  0  0
  2 20  1  0  0  0  0
  3 20  1  0  0  0  0
  4 16  1  0  0  0  0
  4 20  1  0  0  0  0
  5 18  1  0  0  0  0
  5 21  1  0  0  0  0
  6  8  1  0  0  0  0
  6 17  1  0  0  0  0
  6 26  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 22  1  0  0  0  0
  9 13  2  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 12  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 27  1  0  0  0  0
 14 16  1  0  0  0  0
 14 28  1  0  0  0  0
 15 19  2  0  0  0  0
 15 29  1  0  0  0  0
 16 18  2  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 19  1  0  0  0  0
 19 33  1  0  0  0  0
 20 34  1  0  0  0  0
 21 35  1  0  0  0  0
 21 36  1  0  0  0  0
 21 37  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
64542879

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
325

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzMYBAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABwAAAHwQQAAAADCzF3hayh5LIFAikAyRiRACC+KBhKjgIiLQ+rJgNZqKksRuUMCpk0BGqqAew0BIOIAABAAAAQABAAAIAAACAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-[2-[3-(difluoromethoxy)-4-methoxy-phenyl]thiazol-4-yl]-N-methyl-ethanamine

> <PUBCHEM_IUPAC_CAS_NAME>
1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]-4-thiazolyl]-N-methylethanamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]-1,3-thiazol-4-yl]-<I>N</I>-methylethanamine

> <PUBCHEM_IUPAC_NAME>
1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]-1,3-thiazol-4-yl]-N-methylethanamine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-[2-[3-[bis(fluoranyl)methoxy]-4-methoxy-phenyl]-1,3-thiazol-4-yl]-N-methyl-ethanamine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-[2-[3-(difluoromethoxy)-4-methoxy-phenyl]thiazol-4-yl]ethyl-methyl-amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H16F2N2O2S/c1-8(17-2)10-7-21-13(18-10)9-4-5-11(19-3)12(6-9)20-14(15)16/h4-8,14,17H,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
YVHLOLADGKQHMU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.3

> <PUBCHEM_EXACT_MASS>
314.09005526

> <PUBCHEM_MOLECULAR_FORMULA>
C14H16F2N2O2S

> <PUBCHEM_MOLECULAR_WEIGHT>
314.35

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C1=CSC(=N1)C2=CC(=C(C=C2)OC)OC(F)F)NC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C1=CSC(=N1)C2=CC(=C(C=C2)OC)OC(F)F)NC

> <PUBCHEM_CACTVS_TPSA>
71.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
314.09005526

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
1  11  8
1  13  8
12  14  8
12  15  8
14  16  8
15  19  8
16  18  8
18  19  8
7  11  8
7  9  8
8  10  3
9  13  8

$$$$