CAS 105355-26-8

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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

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 Formula	C₁₉H₂₁N₃O₂S
Molecular Weight	355.5 g/mol
XLogP3	3.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	355.13544809 g/mol
Monoisotopic Mass	355.13544809 g/mol
Topological Polar Surface Area	103 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	477
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1