EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	11PW1H7SFJ
EPA CompTox	DTXSID50214670

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

11PW1H7SFJ

EPA CompTox

DTXSID50214670


InChI Key	WYDPIVMKULHMBF-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCCCCc1c(nc(N)s1)c1ccccc1
InChI	InChI=1S/C23H36N2S/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-21-22(25-23(24)26-21)20-17-14-13-15-18-20/h13-15,17-18H,2-12,16,19H2,1H3,(H2,24,25)

InChI Key

WYDPIVMKULHMBF-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCc1c(nc(N)s1)c1ccccc1

InChI

InChI=1S/C23H36N2S/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-21-22(25-23(24)26-21)20-17-14-13-15-18-20/h13-15,17-18H,2-12,16,19H2,1H3,(H2,24,25)

Property Name	Value
Molecular Formula	C23H36N2S1
Molecular Weight	372.26
AlogP	7.47
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	14.0
Polar Surface Area	39.64
Heavy Atoms	26.0

Property Name

Value

Molecular Formula

C23H36N2S1

Molecular Weight

372.26

AlogP

7.47

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

14.0

Polar Surface Area

39.64

Heavy Atoms

26.0

Resources	Reference
CAS NUMBER	64415-14-1
NORMAN SUSDAT
FDA SRS	11PW1H7SFJ
PubChem	73234
ChemSpider	65988.0

Resources

Reference

CAS NUMBER

64415-14-1

NORMAN SUSDAT

FDA SRS

11PW1H7SFJ

PubChem

73234

ChemSpider

65988.0

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

4-PHENYL-5-TETRADECYLTHIAZOL-2-AMINE

Structure

Physicochemical Descriptors

Cross References