65276835
  -OEChem-05052415062D

 32 34  0     1  0  0  0  0  0999 V2000
    2.9230    1.6666    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.4212    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411    1.6666    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    2.6176    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0788    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8198    3.4267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9244    4.4212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7334    3.8334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    2.6176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.4212    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7320    1.0788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.9212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.9212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.9212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.4212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2410    3.6489    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    4.9784    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3284    4.5921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0801    3.3194    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1794    4.2641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.1988    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.2312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.6157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.3888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.4581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.6112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.6112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.2312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.2312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 11  1  0  0  0  0
  2 18  1  0  0  0  0
  3  9  1  0  0  0  0
  3 11  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 24  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 16  1  0  0  0  0
 14 29  1  0  0  0  0
 15 17  2  0  0  0  0
 15 30  1  0  0  0  0
 16 18  2  0  0  0  0
 16 31  1  0  0  0  0
 17 18  1  0  0  0  0
 17 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
65276835

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
279

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzAQBAAAAAAAAAAAAAGAAAAWAAAAAwAAAAAAAAAAABwAAAHQQQQAAADSjBGwwzEIbIEACkAiJiJACC0AkgAKkJiIA4BIiIKCKAmRGEIAhokAIIiAcQgIAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]-1,2,4-thiadiazol-5-amine

> <PUBCHEM_IUPAC_CAS_NAME>
3-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]-1,2,4-thiadiazol-5-amine

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-cyclopropyl-<I>N</I>-[1-(4-fluorophenyl)ethyl]-1,2,4-thiadiazol-5-amine

> <PUBCHEM_IUPAC_NAME>
3-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]-1,2,4-thiadiazol-5-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]-1,2,4-thiadiazol-5-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-[1-(4-fluorophenyl)ethyl]amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H14FN3S/c1-8(9-4-6-11(14)7-5-9)15-13-16-12(17-18-13)10-2-3-10/h4-8,10H,2-3H2,1H3,(H,15,16,17)

> <PUBCHEM_IUPAC_INCHIKEY>
OBRNBZXOLXUHPF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.6

> <PUBCHEM_EXACT_MASS>
263.08924679

> <PUBCHEM_MOLECULAR_FORMULA>
C13H14FN3S

> <PUBCHEM_MOLECULAR_WEIGHT>
263.34

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C1=CC=C(C=C1)F)NC2=NC(=NS2)C3CC3

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C1=CC=C(C=C1)F)NC2=NC(=NS2)C3CC3

> <PUBCHEM_CACTVS_TPSA>
66

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
263.08924679

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <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  4  8
10  13  3
12  14  8
12  15  8
14  16  8
15  17  8
16  18  8
17  18  8
3  11  8
3  9  8
4  9  8

$$$$