EcoDrugPlus


Synonyms	Diamthazole Dimazole
Status
Molecule Category	Free-form
UNII	2KL01R8ZV1
EPA CompTox	DTXSID1046182

Synonyms

Diamthazole

Dimazole

Status

Molecule Category

Free-form

UNII

2KL01R8ZV1

EPA CompTox

DTXSID1046182


InChI Key	WGMYEOIMVYADRJ-UHFFFAOYSA-N
Smiles	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

InChI Key

WGMYEOIMVYADRJ-UHFFFAOYSA-N

Smiles

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

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

Property Name

Value

Molecular Formula

C15H23N3OS

Molecular Weight

293.44

AlogP

3.08

Hydrogen Bond Acceptor

5.0

Number of Rotational Bond

7.0

Polar Surface Area

28.6

Molecular species

BASE

Aromatic Rings

2.0

Heavy Atoms

20.0

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

Resources

Reference

ChEBI

ChEMBL

DrugBank

DrugCentral

FDA SRS

PubChem

SureChEMBL

ZINC

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

DIAMTHAZOLE

Structure

Physicochemical Descriptors

Cross References