DIAMTHAZOLE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 2KL01R8ZV1

Structure
InChI Key WGMYEOIMVYADRJ-UHFFFAOYSA-N
Smile CCN(CC)CCOc1ccc2nc(N(C)C)sc2c1
InChI
InChI=1S/C15H23N3OS/c1-5-18(6-2)9-10-19-12-7-8-13-14(11-12)20-15(16-13)17(3)4/h7-8,11H,5-6,9-10H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H23N3OS
Molecular Weight 293.44
AlogP 3.08
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 7.0
Polar Surface Area 28.6
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 20.0

Cross References

Resources Reference
ChEBI 103934
ChEMBL CHEMBL1184360
DrugBank DB13858
DrugCentral 3725
EPA CompTox DTXSID1046182
FDA SRS 2KL01R8ZV1
PubChem 8708
SureChEMBL SCHEMBL467444
ZINC ZINC000000001271
CONTENTS