EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	915LI10XR7
EPA CompTox	DTXSID00202188

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

915LI10XR7

EPA CompTox

DTXSID00202188


InChI Key	JJWACYUTERPMBM-UHFFFAOYSA-N
Smiles	CC(=O)N1CCNC1=O
InChI	InChI=1S/C5H8N2O2/c1-4(8)7-3-2-6-5(7)9/h2-3H2,1H3,(H,6,9)

InChI Key

JJWACYUTERPMBM-UHFFFAOYSA-N

Smiles

CC(=O)N1CCNC1=O

InChI

InChI=1S/C5H8N2O2/c1-4(8)7-3-2-6-5(7)9/h2-3H2,1H3,(H,6,9)

Property Name	Value
Molecular Formula	C5H8N2O2
Molecular Weight	128.06
AlogP	-0.24
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Polar Surface Area	52.9
Heavy Atoms	9.0

Property Name

Value

Molecular Formula

C5H8N2O2

Molecular Weight

128.06

AlogP

-0.24

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Polar Surface Area

52.9

Heavy Atoms

9.0

Resources	Reference
CAS NUMBER	5391-52-6
NORMAN SUSDAT
FDA SRS	915LI10XR7
PubChem	79350
ChemSpider	71670.0

Resources

Reference

CAS NUMBER

5391-52-6

NORMAN SUSDAT

FDA SRS

915LI10XR7

PubChem

79350

ChemSpider

71670.0

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

1-ACETYLIMIDAZOLIDINE-2-THIONE

Structure

Physicochemical Descriptors

Cross References