Mrv1652304272018532D          

 10 11  0  0  0  0            999 V2000
   -2.7112   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2822    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7018    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9967   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5678    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5678   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9967    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2169    0.6674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2822   -0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2169   -0.6674    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  2  0  0  0  0
  3 10  1  0  0  0  0
  4  7  2  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
M  END
> <DATABASE_ID>
CDB005760

> <DATABASE_NAME>
CDB

> <SMILES>
CC1=NC=C2N=CSC2=N1

> <INCHI_IDENTIFIER>
InChI=1S/C6H5N3S/c1-4-7-2-5-6(9-4)10-3-8-5/h2-3H,1H3

> <INCHI_KEY>
MMOQXBUGBFDEKS-UHFFFAOYSA-N

> <FORMULA>
C6H5N3S

> <MOLECULAR_WEIGHT>
151.19

> <EXACT_MASS>
151.020418347

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
15

> <JCHEM_AVERAGE_POLARIZABILITY>
14.62634488754658

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5-methyl-[1,3]thiazolo[5,4-d]pyrimidine

> <ALOGPS_LOGP>
1.08

> <JCHEM_LOGP>
0.9718486243333333

> <ALOGPS_LOGS>
-2.16

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-0.7324949459808509

> <JCHEM_POLAR_SURFACE_AREA>
38.67

> <JCHEM_REFRACTIVITY>
38.37

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.04e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5-methyl-[1,3]thiazolo[5,4-d]pyrimidine

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB005760

> <GENERIC_NAME>
Methylthiazolopyrimidine

$$$$