283040
  -OEChem-06192423152D

 17 17  0     0  0  0  0  0  0999 V2000
    7.9575   -0.5088    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    0.7992    0.0000 S   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
    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
    6.2633   -0.1487    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
    7.2144    0.1603    0.0000 C   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
    7.7029    0.5420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9233    0.7077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  9  2  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
283040

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
157

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBjIABEAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAABgAAAHgYYAAAAAAOBwkADEALAAAguAAEwMAAQAIJAABkVAAAQAADAAAAACABAAAAQGQIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C5H6ClN3OS/c1-3-8-9-5(11-3)7-4(10)2-6/h2H2,1H3,(H,7,9,10)

> <PUBCHEM_IUPAC_INCHIKEY>
YDRMIMUGNZLYMQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.9

> <PUBCHEM_EXACT_MASS>
190.9920107

> <PUBCHEM_MOLECULAR_FORMULA>
C5H6ClN3OS

> <PUBCHEM_MOLECULAR_WEIGHT>
191.64

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

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

> <PUBCHEM_CACTVS_TPSA>
83.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
190.9920107

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
11

> <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>
2  7  8
2  8  8
5  6  8
5  7  8
6  8  8

$$$$
