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2D Structure
Also known as: 105355-26-8, 2-amino-5-{4-[2-(5-ethyl-2-pyridyl)ethoxy]benzyl}-4(5h)-thiazolone, 2-amino-5-{4-[2-(5-ethyl-pyridin-2-yl)-ethoxy]-benzyl}-thiazol-4-one, 5-[4-[2-(5-ethyl-2-pyridyl)ethoxy]benzyl]-2-imino-4-thiazolidinone, 2-amino-5-[[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazol-4-one, 2-amino-5-(4-[2-(5-ethyl-2-pyridyl)ethoxy]benzyl)-4(5h)-thiazolone
Molecular Formula
C19H21N3O2S
Molecular Weight
355.5  g/mol
InChI Key
ABGJULHDDNEULW-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-amino-5-[[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazol-4-one
2.1.2 InChI
InChI=1S/C19H21N3O2S/c1-2-13-3-6-15(21-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(23)22-19(20)25-17/h3-8,12,17H,2,9-11H2,1H3,(H2,20,22,23)
2.1.3 InChI Key
ABGJULHDDNEULW-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCC1=CN=C(C=C1)CCOC2=CC=C(C=C2)CC3C(=O)N=C(S3)N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 105355-26-8

2. 2-amino-5-{4-[2-(5-ethyl-2-pyridyl)ethoxy]benzyl}-4(5h)-thiazolone

3. 2-amino-5-{4-[2-(5-ethyl-pyridin-2-yl)-ethoxy]-benzyl}-thiazol-4-one

4. 5-[4-[2-(5-ethyl-2-pyridyl)ethoxy]benzyl]-2-imino-4-thiazolidinone

5. 2-amino-5-[[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazol-4-one

6. 2-amino-5-(4-[2-(5-ethyl-2-pyridyl)ethoxy]benzyl)-4(5h)-thiazolone

7. 2-amino-5-[4-[2-(5-ethyl-2-pyridyl)ethoxy]benzyl]-4(5h)-thiazolone

8. 5-{4-[5-(ethylpyridin-2-yl)ethoxy]benzyl}-2-iminothiazolidin-4-one

9. 2-amino-5-{4-[2-(5-ethyl-pyridin-2-yl)-ethoxy]-benzyl-thiazol-4-one

10. 2-amino-5-(4-[2-(5-ethyl-pyridin-2-yl)-ethoxy]-benzyl)-thiazol-4-one

11. 2-amino-5-[4-[2-(5-ethyl-pyridin-2-yl)-ethoxy]-benzyl]-thiazol-4-one

12. 5-(4-(2-(5-ethyl-2-pyridyl)ethoxy)benzyl)-2-imino-4-thiazolidinone

13. Schembl2944577

14. Dtxsid00465271

15. Act04247

16. Bcp11196

17. (5-{4-[2-(5-ethyl-2-pyridyl)ethoxy]benzyl}-2-imino-4-thiazolidone)

18. Mfcd07368627

19. Akos015900316

20. Ac-3452

21. As-35039

22. Db-020456

23. 355a268

24. 355e268

25. A914833

26. Q-102820

27. 2-amino-5-(4-[2-(5-ethylpyridin-2-yl)ethoxy]benzyl)thiazol-4-one

28. 5-{4-2-(5-ethyl-2-pyridyl)ethoxybenzyl}-2-imino-4-thiazolidinone

29. 2-amino-5-[4-[2-(5-ethyl-2-pyridyl)ethoxy]benzyl]thiazol-4(5h)-one

30. 2-amino-5-{4-[2-(5-ethylpyridin-2-yl)ethoxy] Benzyl}thiazol-4-one

31. 5-[4-[2-(5-ethyl-2-pyridyl)ethoxy]benzyl]-2-iminothiazolidine-4-one

32. 5-{4-[2-(5-ethyl-2-pyridyl)ethoxy]benzyl}-2- Imino-4-thiazolidinone

33. 2-amino-5-((4-(2-(5-ethyl-2-pyridinyl)ethoxy)phenyl)methyl)-4(5h)-thiazolone

34. 2-amino-5-({4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl}methyl)-1,3-thiazol-4(5h)-one

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 355.5 g/mol
Molecular Formula C19H21N3O2S
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass355.13544809 g/mol
Monoisotopic Mass355.13544809 g/mol
Topological Polar Surface Area103 Ų
Heavy Atom Count25
Formal Charge0
Complexity477
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1