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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

CAS 105355-26-8
1 2D Structure

CAS 105355-26-8

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

BUILDING BLOCK

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