EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	V93UR7ZO5R
EPA CompTox	DTXSID8020707

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

V93UR7ZO5R

EPA CompTox

DTXSID8020707


InChI Key	VTOUNUQLXMNNMQ-UHFFFAOYSA-N
Smiles	NNC1=NC(=CS1)C1=CC=CC=C1
InChI	InChI=1S/C9H9N3S/c10-12-9-11-8(6-13-9)7-4-2-1-3-5-7/h1-6H,10H2,(H,11,12)

InChI Key

VTOUNUQLXMNNMQ-UHFFFAOYSA-N

Smiles

NNC1=NC(=CS1)C1=CC=CC=C1

InChI

InChI=1S/C9H9N3S/c10-12-9-11-8(6-13-9)7-4-2-1-3-5-7/h1-6H,10H2,(H,11,12)

Property Name	Value
Molecular Formula	C9H9N3S1
Molecular Weight	191.05
AlogP	2.1
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	50.94
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C9H9N3S1

Molecular Weight

191.05

AlogP

2.1

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

50.94

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	34176-52-8
NORMAN SUSDAT
FDA SRS	V93UR7ZO5R

Resources

Reference

CAS NUMBER

34176-52-8

NORMAN SUSDAT

FDA SRS

V93UR7ZO5R

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-HYDRAZINO-4-PHENYLTHIAZOLE

Structure

Physicochemical Descriptors

Cross References