CAS 78441-69-7

Chemistry, 1 End Use API, 14 Related Intermediates

Manufacturers/Suppliers

1 Suppliers

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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

CAS 78441-69-7

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 Formula	C₇H₁₂N₂OS
Molecular Weight	172.25 g/mol
XLogP3	0
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	64.6
Heavy Atom Count	11
Formal Charge	0
Complexity	121
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1