EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	R95713542R
EPA CompTox	DTXSID40166856

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

R95713542R

EPA CompTox

DTXSID40166856


InChI Key	OUQMXTJYCAJLGO-UHFFFAOYSA-N
Smiles	Cc1csc(N)n1
InChI	InChI=1S/C4H6N2S/c1-3-2-7-4(5)6-3/h2H,1H3,(H2,5,6)

InChI Key

OUQMXTJYCAJLGO-UHFFFAOYSA-N

Smiles

Cc1csc(N)n1

InChI

InChI=1S/C4H6N2S/c1-3-2-7-4(5)6-3/h2H,1H3,(H2,5,6)

Property Name	Value
Molecular Formula	C4H6N2S1
Molecular Weight	114.03
AlogP	0.86
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Polar Surface Area	39.64
Heavy Atoms	7.0

Property Name

Value

Molecular Formula

C4H6N2S1

Molecular Weight

114.03

AlogP

0.86

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Polar Surface Area

39.64

Heavy Atoms

7.0

Resources	Reference
CAS NUMBER	1603-91-4
NORMAN SUSDAT
FDA SRS	R95713542R
PubChem	74143
ChemSpider	66754.0

Resources

Reference

CAS NUMBER

1603-91-4

NORMAN SUSDAT

FDA SRS

R95713542R

PubChem

74143

ChemSpider

66754.0

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

2-AMINO-4-METHYLTHIAZOLE

Structure

Physicochemical Descriptors

Cross References