EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID4065078

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID4065078


InChI Key	LTEUXHSAYOSFGQ-UHFFFAOYSA-N
Smiles	FC(F)(F)C1=NN=C(S1)N
InChI	InChI=1/C3H2F3N3S/c4-3(5,6)1-8-9-2(7)10-1/h(H2,7,9)

InChI Key

LTEUXHSAYOSFGQ-UHFFFAOYSA-N

Smiles

FC(F)(F)C1=NN=C(S1)N

InChI

InChI=1/C3H2F3N3S/c4-3(5,6)1-8-9-2(7)10-1/h(H2,7,9)

Property Name	Value
Molecular Formula	C3H2F3N3S
Molecular Weight	168.99
AlogP	0.97
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Polar Surface Area	52.53
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C3H2F3N3S

Molecular Weight

168.99

AlogP

0.97

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

2.0

Polar Surface Area

52.53

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	10444-89-0
NORMAN SUSDAT
PubChem	82634

Resources

Reference

CAS NUMBER

10444-89-0

NORMAN SUSDAT

PubChem

82634

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-5-TRIFLUOROMETHYL-1,3,4-THIADIAZOLE

Structure

Physicochemical Descriptors

Cross References