Mrv1652306031609332D          

 14 14  0  0  0  0            999 V2000
    0.5678    1.9393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2352    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0059   -1.5764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1467    3.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1553   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4790   -2.2438    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8264   -1.6626    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8612    3.5893    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    3.5893    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0997    0.6294    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3297   -0.8227    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1467    2.3518    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9803   -0.1553    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  3  2  2  0  0  0  0
  7  4  2  0  0  0  0
  8  4  1  0  0  0  0
  9  5  2  0  0  0  0
 10  5  1  0  0  0  0
 11  3  1  0  0  0  0
 11  6  2  0  0  0  0
 12  4  1  0  0  0  0
 12  6  1  0  0  0  0
 13  1  1  0  0  0  0
 13  5  1  0  0  0  0
 14  2  1  0  0  0  0
 14  6  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM045656

> <DATABASE_NAME>
chemdb

> <SMILES>
NC(=N)NC1=NC(CSC(N)=N)=CS1

> <INCHI_IDENTIFIER>
InChI=1S/C6H10N6S2/c7-4(8)12-6-11-3(2-14-6)1-13-5(9)10/h2H,1H2,(H3,9,10)(H4,7,8,11,12)

> <INCHI_KEY>
QUBHCMPAOWIZMT-UHFFFAOYSA-N

> <FORMULA>
C6H10N6S2

> <MOLECULAR_WEIGHT>
230.31

> <EXACT_MASS>
230.040836694

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
24

> <JCHEM_AVERAGE_POLARIZABILITY>
22.82566020425671

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
{[(2-carbamimidamido-1,3-thiazol-4-yl)methyl]sulfanyl}methanimidamide

> <ALOGPS_LOGP>
0.04

> <JCHEM_LOGP>
0.22510740866666648

> <ALOGPS_LOGS>
-3.46

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
2

> <JCHEM_PKA_STRONGEST_BASIC>
10.520898881599475

> <JCHEM_POLAR_SURFACE_AREA>
124.66

> <JCHEM_REFRACTIVITY>
80.03279999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.06e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[(2-carbamimidamido-1,3-thiazol-4-yl)methyl]sulfanylmethanimidamide

> <JCHEM_VEBER_RULE>
0

> <NAME>
[({2-[(diaminomethylidene)amino]-1,3-thiazol-4-yl}methyl)sulfanyl]methanimidamide

$$$$