
 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-phenylpiperazine

 35 37  0  0  0  0  0  0  0  0999 V2000
    0.7790    1.0721   -0.2791 C   0  0  0  0  0
   -0.7704    1.1351   -0.2241 C   0  0  0  0  0
   -1.3545   -0.0882   -0.8097 N   0  0  0  0  0
   -0.8197   -1.3319   -0.2353 C   0  0  0  0  0
    0.7224   -1.3309   -0.3470 C   0  0  0  0  0
    1.4013   -0.1611    0.2685 N   0  0  0  0  0
    1.3473   -0.1722    1.7376 C   0  0  0  0  0
    2.1114   -1.3228    2.3188 C   0  0  0  0  0
    3.4459   -1.6569    2.1664 C   0  0  0  0  0
    3.8587   -2.8063    2.8150 N   0  0  0  0  0
    2.8283   -3.3183    3.4414 C   0  0  0  0  0
    1.3500   -2.4887    3.3293 S   0  0  0  0  0
    2.9277   -4.7714    4.3479 Cl  0  0  0  0  0
   -2.7184   -0.0176   -1.1038 C   0  0  0  0  0
   -3.1579    0.8715   -2.0993 C   0  0  0  0  0
   -4.5024    0.9455   -2.4753 C   0  0  0  0  0
   -5.4423    0.1327   -1.8535 C   0  0  0  0  0
   -5.0353   -0.7514   -0.8586 C   0  0  0  0  0
   -3.6852   -0.8268   -0.4934 C   0  0  0  0  0
    1.0849    1.1518   -1.3308 H   0  0  0  0  0
    1.1988    1.9571    0.2149 H   0  0  0  0  0
   -1.0887    2.0341   -0.7659 H   0  0  0  0  0
   -1.1062    1.2439    0.8147 H   0  0  0  0  0
   -1.1232   -1.4380    0.8130 H   0  0  0  0  0
   -1.1982   -2.2013   -0.7880 H   0  0  0  0  0
    1.1192   -2.2715    0.0505 H   0  0  0  0  0
    0.9900   -1.3392   -1.4127 H   0  0  0  0  0
    0.3164   -0.1570    2.1108 H   0  0  0  0  0
    1.8233    0.7426    2.1172 H   0  0  0  0  0
    4.1607   -1.0972    1.5729 H   0  0  0  0  0
   -2.4348    1.4890   -2.6259 H   0  0  0  0  0
   -4.8062    1.6278   -3.2646 H   0  0  0  0  0
   -6.4872    0.1815   -2.1472 H   0  0  0  0  0
   -5.7646   -1.3900   -0.3685 H   0  0  0  0  0
   -3.4116   -1.5277    0.2888 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  3  1  0  0  0
  2 22  1  0  0  0
  2 23  1  0  0  0
  3  4  1  0  0  0
  3 14  1  0  0  0
  4  5  1  0  0  0
  4 24  1  0  0  0
  4 25  1  0  0  0
  5  6  1  0  0  0
  5 26  1  0  0  0
  5 27  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 28  1  0  0  0
  7 29  1  0  0  0
  8  9  2  0  0  0
  8 12  1  0  0  0
  9 10  1  0  0  0
  9 30  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 11 13  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 31  1  0  0  0
 16 17  2  0  0  0
 16 32  1  0  0  0
 17 18  1  0  0  0
 17 33  1  0  0  0
 18 19  2  0  0  0
 18 34  1  0  0  0
 19 35  1  0  0  0
M  END

>  <Chemical Name>
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-phenylpiperazine

>  <PubChem CID>
1489112

>  <Formula>
C14H16ClN3S

>  <Molecular Weight>
293.813000

>  <IUPAC Name>
2-chloro-5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCN1CC2=CN=C(S2)Cl)C3=CC=CC=C3

>  <Isomeric SMILES>
C1CN(CCN1CC2=CN=C(S2)Cl)C3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C14H16ClN3S/c15-14-16-10-13(19-14)11-17-6-8-18(9-7-17)12-4-2-1-3-5-12/h1-5,10H,6-9,11H2

>  <InChI Key>
CZPHEYMHFHOUKP-UHFFFAOYSA-N

