60641224
  -OEChem-04232414042D

 34 35  0     0  0  0  0  0  0999 V2000
    5.4071    0.8026    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.7852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.7852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7891    0.8026    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9170    3.4762    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    1.7536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5103    2.5626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    1.7536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3292    4.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9963    2.9094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0796    2.1167    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.9752    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.9752    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.5952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4625    2.2552    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5336    3.5410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8308    4.6496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9648    4.7868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8277    3.9208    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.7483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.9752    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -2.8222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541   -4.8222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -4.5952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741   -3.7483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 15  1  0  0  0  0
  2 11  1  0  0  0  0
  2 17  1  0  0  0  0
  3 13  1  0  0  0  0
  3 18  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 16  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  2  0  0  0  0
  6 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 15  2  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 11  1  0  0  0  0
 10 21  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 22  1  0  0  0  0
 13 14  1  0  0  0  0
 14 23  1  0  0  0  0
 15 24  1  0  0  0  0
 16 26  1  0  0  0  0
 16 27  1  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60641224

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
255

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzMABAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABwAAAHgQQAAAADAzF3gayh5LIFAikAyRiRACC+KBhKjgIiLQ+rJgNZqKksRuUMCpkwBGqqAew0BIOIAABAAAAQABAAAIAAACAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-[2-(3,4-dimethoxyphenyl)thiazol-4-yl]-N-methyl-methanamine

> <PUBCHEM_IUPAC_CAS_NAME>
1-[2-(3,4-dimethoxyphenyl)-4-thiazolyl]-N-methylmethanamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-<I>N</I>-methylmethanamine

> <PUBCHEM_IUPAC_NAME>
1-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-methylmethanamine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-methyl-methanamine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[2-(3,4-dimethoxyphenyl)thiazol-4-yl]methyl-methyl-amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H16N2O2S/c1-14-7-10-8-18-13(15-10)9-4-5-11(16-2)12(6-9)17-3/h4-6,8,14H,7H2,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
RJTCKEGGYQULJG-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2

> <PUBCHEM_EXACT_MASS>
264.09324893

> <PUBCHEM_MOLECULAR_FORMULA>
C13H16N2O2S

> <PUBCHEM_MOLECULAR_WEIGHT>
264.35

> <PUBCHEM_OPENEYE_CAN_SMILES>
CNCC1=CSC(=N1)C2=CC(=C(C=C2)OC)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CNCC1=CSC(=N1)C2=CC(=C(C=C2)OC)OC

> <PUBCHEM_CACTVS_TPSA>
71.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
264.09324893

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <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>
1  15  8
1  7  8
10  11  8
11  13  8
12  14  8
13  14  8
4  7  8
4  8  8
6  10  8
6  12  8
8  15  8

$$$$