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2D Structure
Also known as: 78441-69-7, {2-[(dimethylamino)methyl]-1,3-thiazol-4-yl}methanol, 6k6qkg6aln, 2-(dimethylaminomethyl)-4-thiazolemethanol, [2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methanol, 2-dimethylaminomethyl-4-thiazolemethanol
Molecular Formula
C7H12N2OS
Molecular Weight
172.25  g/mol
InChI Key
BIEFSXASVIQOOS-UHFFFAOYSA-N
FDA UNII
6K6QKG6ALN

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methanol
2.1.2 InChI
InChI=1S/C7H12N2OS/c1-9(2)3-7-8-6(4-10)5-11-7/h5,10H,3-4H2,1-2H3
2.1.3 InChI Key
BIEFSXASVIQOOS-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CN(C)CC1=NC(=CS1)CO
2.2 Other Identifiers
2.2.1 UNII
6K6QKG6ALN
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 78441-69-7

2. {2-[(dimethylamino)methyl]-1,3-thiazol-4-yl}methanol

3. 6k6qkg6aln

4. 2-(dimethylaminomethyl)-4-thiazolemethanol

5. [2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methanol

6. 2-dimethylaminomethyl-4-thiazolemethanol

7. 2-dimethylaminomethyl-4-hydroxymethylthiazole

8. 2-[(dimethylamino)methyl]-4-thiazolemethanol

9. Unii-6k6qkg6aln

10. Nizatidine Impurity J [ep]

11. 2-((dimethylamino)methyl)-4-thiazolemethanol

12. 4-thiazolemethanol, 2-((dimethylamino)methyl)-

13. 4-thiazolemethanol, 2-[(dimethylamino)methyl]-

14. (2-[(dimethylamino)methyl]-1,3-thiazol-4-yl)methanol

15. Nizatidine Ep Impurity J

16. Schembl4339516

17. Dtxsid30365356

18. Bbl033678

19. Mfcd06407647

20. Stk501501

21. Akos000302713

22. Ac-20415

23. Vs-12214

24. Nizatidine Impurity J [ep Impurity]

25. 2-(dimethylaminomethyl) -4-thiazolemethanol

26. 2-(dimethylaminomethyl)-4-thiazole Methanol

27. 2-dimethylaminomethyl-4-hydroxvmethylthiazole

28. Cs-0119845

29. Ft-0641677

30. (2-dimethylaminomethyl-thiazol-4-yl)-methanol

31. En300-36208

32. A839422

33. 2-(dimethylaminomethyl)-4-thiazolemethanol, Aldrichcpr

34. Z362770690

35. Inchi=1/c7h12n2os/c1-9(2)3-7-8-6(4-10)5-11-7/h5,10h,3-4h2,1-2h

36. 2-[(n,n-dimethylamino)methyl]-4-(hydroxymethyl) Thiazole; 2-[(dimethylamino)methyl]-4-thiazolemethanol

2.4 Create Date
2005-07-13
3 Chemical and Physical Properties
Molecular Weight 172.25 g/mol
Molecular Formula C7H12N2OS
XLogP30
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area64.6
Heavy Atom Count11
Formal Charge0
Complexity121
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1