EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	4WCC3ARQ7P
EPA CompTox	DTXSID00199746

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

4WCC3ARQ7P

EPA CompTox

DTXSID00199746


InChI Key	SLOWPSHRECMDQM-UHFFFAOYSA-N
Smiles	CCc1c(C)[nH]c(=O)s1
InChI	InChI=1S/C6H9NOS/c1-3-5-4(2)7-6(8)9-5/h3H2,1-2H3,(H,7,8)

InChI Key

SLOWPSHRECMDQM-UHFFFAOYSA-N

Smiles

CCc1c(C)[nH]c(=O)s1

InChI

InChI=1S/C6H9NOS/c1-3-5-4(2)7-6(8)9-5/h3H2,1-2H3,(H,7,8)

Property Name	Value
Molecular Formula	C6H9N1O1S1
Molecular Weight	143.04
AlogP	1.72
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	33.12
Heavy Atoms	9.0

Property Name

Value

Molecular Formula

C6H9N1O1S1

Molecular Weight

143.04

AlogP

1.72

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

33.12

Heavy Atoms

9.0

Resources	Reference
CAS NUMBER	51806-83-8
NORMAN SUSDAT
FDA SRS	4WCC3ARQ7P
PubChem	103975
ChemSpider	93875.0

Resources

Reference

CAS NUMBER

51806-83-8

NORMAN SUSDAT

FDA SRS

4WCC3ARQ7P

PubChem

103975

ChemSpider

93875.0

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

5-ETHYL-4-METHYLTHIAZOL-2(3H)-ONE

Structure

Physicochemical Descriptors

Cross References