EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	G297848J78
EPA CompTox	DTXSID20165569

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

G297848J78

EPA CompTox

DTXSID20165569


InChI Key	HWSFABGWAXURNG-UHFFFAOYSA-N
Smiles	CNCc1csc(n1)C(C)C
InChI	InChI=1S/C8H14N2S/c1-6(2)8-10-7(4-9-3)5-11-8/h5-6,9H,4H2,1-3H3

InChI Key

HWSFABGWAXURNG-UHFFFAOYSA-N

Smiles

CNCc1csc(n1)C(C)C

InChI

InChI=1S/C8H14N2S/c1-6(2)8-10-7(4-9-3)5-11-8/h5-6,9H,4H2,1-3H3

Property Name	Value
Molecular Formula	C8H14N2S1
Molecular Weight	170.09
AlogP	1.99
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	24.92
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C8H14N2S1

Molecular Weight

170.09

AlogP

1.99

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

3.0

Polar Surface Area

24.92

Heavy Atoms

11.0

Resources	Reference
CAS NUMBER	154212-60-9
NORMAN SUSDAT
FDA SRS	G297848J78
PubChem	10749687
ChemSpider	8925012.0

Resources

Reference

CAS NUMBER

154212-60-9

NORMAN SUSDAT

FDA SRS

G297848J78

PubChem

10749687

ChemSpider

8925012.0

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...

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Last update: Monday, 3 November 2025

2-ISOPROPYL-4-(N-METHYL)AMINO-METHYL THIAZOLE

Structure

Physicochemical Descriptors

Cross References