46907703
  -OEChem-05112421042D

 48 51  0     0  0  0  0  0  0999 V2000
    5.4434   -1.3220    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5878   -3.6820    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2524    2.2658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3864    1.7658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1646   -3.0821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1701   -2.9775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5714   -3.9956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823   -3.7866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9890   -4.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9836   -4.8046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1810   -2.7685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7893    2.5758    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1743    2.3484    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7758    1.6581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7290    1.6581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7758    0.8735    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8537    3.6620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3880    5.3062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 16  1  0  0  0  0
  2 10  1  0  0  0  0
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 19 21  1  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
46907703

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
426

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7gABAAAAAAAAAAAAAAAAAAWLAAAA8QAAAAAAAAAAB8AAAHAQQAAAADQjBWwQ/0ZfJkAikAjZnZACC8K3xGrhJ2Yw4dIiIaCLgmZGUIAhokALIyCcQgIAOAAAAQAAAAAAAAACAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-[2-[4-(1H-imidazol-2-yl)-1-piperidyl]thiazol-5-yl]-N,N-dimethyl-aniline

> <PUBCHEM_IUPAC_CAS_NAME>
3-[2-[4-(1H-imidazol-2-yl)-1-piperidinyl]-5-thiazolyl]-N,N-dimethylaniline

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-[2-[4-(1<I>H</I>-imidazol-2-yl)piperidin-1-yl]-1,3-thiazol-5-yl]-<I>N</I>,<I>N</I>-dimethylaniline

> <PUBCHEM_IUPAC_NAME>
3-[2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-1,3-thiazol-5-yl]-N,N-dimethylaniline

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-[2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-1,3-thiazol-5-yl]-N,N-dimethyl-aniline

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[3-[2-[4-(1H-imidazol-2-yl)piperidino]thiazol-5-yl]phenyl]-dimethyl-amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H23N5S/c1-23(2)16-5-3-4-15(12-16)17-13-22-19(25-17)24-10-6-14(7-11-24)18-20-8-9-21-18/h3-5,8-9,12-14H,6-7,10-11H2,1-2H3,(H,20,21)

> <PUBCHEM_IUPAC_INCHIKEY>
USOVXWOFKVQPGI-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.6

> <PUBCHEM_EXACT_MASS>
353.16741693

> <PUBCHEM_MOLECULAR_FORMULA>
C19H23N5S

> <PUBCHEM_MOLECULAR_WEIGHT>
353.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN(C)C1=CC=CC(=C1)C2=CN=C(S2)N3CCC(CC3)C4=NC=CN4

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN(C)C1=CC=CC(=C1)C2=CN=C(S2)N3CCC(CC3)C4=NC=CN4

> <PUBCHEM_CACTVS_TPSA>
76.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
353.16741693

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <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>
1  13  8
1  16  8
14  15  8
16  17  8
18  19  8
18  20  8
19  21  8
20  23  8
21  22  8
22  23  8
3  12  8
3  14  8
4  12  8
4  15  8
5  13  8
5  17  8

$$$$