EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	5Z58ZM1A9M
EPA CompTox	DTXSID2067165

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

5Z58ZM1A9M

EPA CompTox

DTXSID2067165


InChI Key	NZXOOVIFUOKSNY-UHFFFAOYSA-N
Smiles	CCn1/c(=C/2SC(=S)N(C2=O)c2ccccc2)/oc2c1cccc2
InChI	InChI=1S/C18H14N2O2S2/c1-2-19-13-10-6-7-11-14(13)22-17(19)15-16(21)20(18(23)24-15)12-8-4-3-5-9-12/h3-11H,2H2,1H3/b17-15+

InChI Key

NZXOOVIFUOKSNY-UHFFFAOYSA-N

Smiles

CCn1/c(=C/2SC(=S)N(C2=O)c2ccccc2)/oc2c1cccc2

InChI

InChI=1S/C18H14N2O2S2/c1-2-19-13-10-6-7-11-14(13)22-17(19)15-16(21)20(18(23)24-15)12-8-4-3-5-9-12/h3-11H,2H2,1H3/b17-15+

Property Name	Value
Molecular Formula	C18H14N2O2S2
Molecular Weight	354.05
AlogP	4.14
Hydrogen Bond Acceptor	5.0
Number of Rotational Bond	2.0
Polar Surface Area	32.78
Heavy Atoms	24.0

Property Name

Value

Molecular Formula

C18H14N2O2S2

Molecular Weight

354.05

AlogP

4.14

Hydrogen Bond Acceptor

5.0

Number of Rotational Bond

2.0

Polar Surface Area

32.78

Heavy Atoms

24.0

Resources	Reference
CAS NUMBER	25962-16-7
NORMAN SUSDAT
FDA SRS	5Z58ZM1A9M
PubChem	117685
ChemSpider	21173068.0

Resources

Reference

CAS NUMBER

25962-16-7

NORMAN SUSDAT

FDA SRS

5Z58ZM1A9M

PubChem

117685

ChemSpider

21173068.0

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

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

Last update: Monday, 3 November 2025

4-THIAZOLIDINONE, 5-(3-ETHYL-2(3H)-BENZOXAZOLYLIDENE)-3-PHENYL-2-THIOXO-

Structure

Physicochemical Descriptors

Cross References