650823
  -OEChem-04232420352D

 25 26  0     1  0  0  0  0  0999 V2000
    3.7601    0.7992    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.0234   -0.4275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0554   -1.1269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5202    0.5204    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601   -0.7397    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601   -0.7397    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5234    1.1114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2144    0.1603    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.5234    1.1114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8324    0.1603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2633   -0.1487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691    0.2114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511    0.2114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5882    1.7280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9169    1.2403    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1174   -0.4521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1298    1.2403    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4586    1.7280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1424   -0.3766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3988    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6490    1.1269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1916    1.1101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103    0.7120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8084   -0.0692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  8  1  0  0  0  0
  2 10  1  0  0  0  0
  3 11  2  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 13 14  1  0  0  0  0
 14 23  1  0  0  0  0
 14 24  1  0  0  0  0
 14 25  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
650823

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
227

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMABAAAAAAAAAAAAAAAAAAWJAAAAAAAAAAAAAAAABgAAAHgQYAAAACBShwgIDEALABAguAAEwMAIQAIJAABkVAAFQAACCABIAiAQHAAAUGQIQAACYFAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(5-methyl-1,3,4-thiadiazol-2-yl)tetrahydrofuran-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxolanecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(5-methyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-(5-methyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(5-methyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(5-methyl-1,3,4-thiadiazol-2-yl)tetrahydrofuran-2-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8H11N3O2S/c1-5-10-11-8(14-5)9-7(12)6-3-2-4-13-6/h6H,2-4H2,1H3,(H,9,11,12)

> <PUBCHEM_IUPAC_INCHIKEY>
RLFBFKSVCVCFHJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.7

> <PUBCHEM_EXACT_MASS>
213.05719778

> <PUBCHEM_MOLECULAR_FORMULA>
C8H11N3O2S

> <PUBCHEM_MOLECULAR_WEIGHT>
213.26

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=NN=C(S1)NC(=O)C2CCCO2

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=NN=C(S1)NC(=O)C2CCCO2

> <PUBCHEM_CACTVS_TPSA>
92.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
213.05719778

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
14

> <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>
5

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
1  12  8
1  13  8
5  12  8
5  6  8
6  13  8
8  11  3

$$$$