EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	E5X3ZXQ52C
EPA CompTox	DTXSID30184246

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

E5X3ZXQ52C

EPA CompTox

DTXSID30184246


InChI Key	CFOJQUGXHMGMOT-UHFFFAOYSA-N
Smiles	NC(=S)Nc1cccnc1
InChI	InChI=1S/C6H7N3S/c7-6(10)9-5-2-1-3-8-4-5/h1-4H,(H3,7,9,10)

InChI Key

CFOJQUGXHMGMOT-UHFFFAOYSA-N

Smiles

NC(=S)Nc1cccnc1

InChI

InChI=1S/C6H7N3S/c7-6(10)9-5-2-1-3-8-4-5/h1-4H,(H3,7,9,10)

Property Name	Value
Molecular Formula	C6H7N3S1
Molecular Weight	153.04
AlogP	1.36
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	1.0
Polar Surface Area	48.77
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C6H7N3S1

Molecular Weight

153.04

AlogP

1.36

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

1.0

Polar Surface Area

48.77

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	30162-37-9
NORMAN SUSDAT
FDA SRS	E5X3ZXQ52C
PubChem	2760515
ChemSpider	1230786.0

Resources

Reference

CAS NUMBER

30162-37-9

NORMAN SUSDAT

FDA SRS

E5X3ZXQ52C

PubChem

2760515

ChemSpider

1230786.0

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

3-PYRIDYLTHIOUREA

Structure

Physicochemical Descriptors

Cross References