
 CHEMBL474716

 44 45  0  0  0  0  0  0  0  0999 V2000
    0.6014   -0.0579    0.4335 C   0  0  0  0  0
    2.0927    0.0348    0.7255 C   0  0  0  0  0
    2.7646    1.0931   -0.1584 C   0  0  0  0  0
    4.1988    1.2532    0.1320 N   0  0  0  0  0
    5.0160    0.0906   -0.2841 C   0  0  0  0  0
    5.1169   -0.1316   -1.8086 C   0  0  0  0  0
    5.5423    1.0919   -2.5191 N   0  0  0  0  0
    4.8574    2.3274   -2.0982 C   0  0  0  0  0
    4.7516    2.4408   -0.5586 C   0  0  0  0  0
    5.8381    0.9182   -3.8470 C   0  0  0  0  0
    5.8777   -0.2631   -4.4313 N   0  0  0  0  0
    6.2198   -0.1567   -5.7619 C   0  0  0  0  0
    6.4473    1.1221   -6.2160 C   0  0  0  0  0
    6.2345    2.2221   -4.9245 S   0  0  0  0  0
    6.8334    1.5874   -7.5815 C   0  0  0  0  0
    5.6045    1.9459   -8.4253 C   0  0  0  0  0
    5.9627    2.3944   -9.7674 N   0  0  0  0  0
    6.3107    3.7907   -9.9602 C   0  0  0  0  0
    6.1626    1.4844  -10.7865 C   0  0  0  0  0
    6.5849    1.7396  -11.9075 O   0  0  0  0  0
    0.1343   -0.8057    1.0819 H   0  0  0  0  0
    0.4255   -0.3532   -0.6059 H   0  0  0  0  0
    0.1049    0.9017    0.6076 H   0  0  0  0  0
    2.5330   -0.9537    0.5597 H   0  0  0  0  0
    2.2374    0.2853    1.7832 H   0  0  0  0  0
    2.2604    2.0480    0.0411 H   0  0  0  0  0
    2.5817    0.8616   -1.2138 H   0  0  0  0  0
    4.6638   -0.8274    0.1979 H   0  0  0  0  0
    6.0310    0.2410    0.1093 H   0  0  0  0  0
    5.8444   -0.9368   -1.9741 H   0  0  0  0  0
    4.1513   -0.4738   -2.2015 H   0  0  0  0  0
    5.4034    3.2135   -2.4421 H   0  0  0  0  0
    3.8548    2.3622   -2.5426 H   0  0  0  0  0
    5.7565    2.6258   -0.1552 H   0  0  0  0  0
    4.1672    3.3320   -0.2978 H   0  0  0  0  0
    6.2901   -1.0585   -6.3582 H   0  0  0  0  0
    7.4059    0.7975   -8.0847 H   0  0  0  0  0
    7.5091    2.4487   -7.5118 H   0  0  0  0  0
    5.0059    2.7310   -7.9485 H   0  0  0  0  0
    4.9588    1.0636   -8.5209 H   0  0  0  0  0
    5.4692    4.4112   -9.6393 H   0  0  0  0  0
    6.5328    4.0085  -11.0083 H   0  0  0  0  0
    7.1911    4.0260   -9.3559 H   0  0  0  0  0
    5.8901    0.4554  -10.4984 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  2 25  1  0  0  0
  3  4  1  0  0  0
  3 26  1  0  0  0
  3 27  1  0  0  0
  4  9  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 28  1  0  0  0
  5 29  1  0  0  0
  6  7  1  0  0  0
  6 30  1  0  0  0
  6 31  1  0  0  0
  7  8  1  0  0  0
  7 10  1  0  0  0
  8  9  1  0  0  0
  8 32  1  0  0  0
  8 33  1  0  0  0
  9 34  1  0  0  0
  9 35  1  0  0  0
 10 11  2  0  0  0
 10 14  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 36  1  0  0  0
 13 14  1  0  0  0
 13 15  1  0  0  0
 15 16  1  0  0  0
 15 37  1  0  0  0
 15 38  1  0  0  0
 16 17  1  0  0  0
 16 39  1  0  0  0
 16 40  1  0  0  0
 17 19  1  0  0  0
 17 18  1  0  0  0
 18 41  1  0  0  0
 18 42  1  0  0  0
 18 43  1  0  0  0
 19 20  2  0  0  0
 19 44  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL474716

>  <PubChem CID>
42604649

>  <Formula>
C14H24N4OS

>  <Molecular Weight>
296.433000

>  <IUPAC Name>
N-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]formamide

>  <XlogP>
1.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCCN1CCN(CC1)C2=NC=C(S2)CCN(C)C=O

>  <Isomeric SMILES>
CCCN1CCN(CC1)C2=NC=C(S2)CCN(C)C=O

>  <InChI Std. ID>
InChI=1S/C14H24N4OS/c1-3-5-17-7-9-18(10-8-17)14-15-11-13(20-14)4-6-16(2)12-19/h11-12H,3-10H2,1-2H3

>  <InChI Key>
BKTZFTHOQACIOB-UHFFFAOYSA-N

