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Chemistry

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Also known as: Bta-1, 439858-28-3, 4-(benzo[d]thiazol-2-yl)-n-methylaniline, 2-(4'-methylaminophenyl)benzothiazole, Bta-eg4, Chembl93334
Molecular Formula
C14H12N2S
Molecular Weight
240.33  g/mol
InChI Key
FHJRKGXJBXPBGA-UHFFFAOYSA-N

Benzo-Thiazole-Aniline-1-Methyl
1 2D Structure

Benzo-Thiazole-Aniline-1-Methyl

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-(1,3-benzothiazol-2-yl)-N-methylaniline
2.1.2 InChI
InChI=1S/C14H12N2S/c1-15-11-8-6-10(7-9-11)14-16-12-4-2-3-5-13(12)17-14/h2-9,15H,1H3
2.1.3 InChI Key
FHJRKGXJBXPBGA-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CNC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2
2.2 Synonyms
2.2.1 MeSH Synonyms

1. 2-(4'-methylaminophenyl)benzothiazole

2.2.2 Depositor-Supplied Synonyms

1. Bta-1

2. 439858-28-3

3. 4-(benzo[d]thiazol-2-yl)-n-methylaniline

4. 2-(4'-methylaminophenyl)benzothiazole

5. Bta-eg4

6. Chembl93334

7. 921193-28-4

8. 2-(4-methylaminophenyl)benzothiazole

9. Schembl493341

10. Zinc9200

11. Dtxsid90431602

12. Bdbm50109052

13. Akos003383867

14. Hy-w278021

15. Bta-1, >=98% (hplc), Solid

16. Ncgc00165760-01

17. (4-benzothiazol-2-yl-phenyl)-methyl-amine

18. Cs-0323149

19. [4-(1,3-benzothiazol-2-yl)phenyl]methylamine

20. 10.14272/fhjrkgxjbxpbga-uhfffaoysa-n.1

21. 6x-7042

22. 858b283

23. Doi:10.14272/fhjrkgxjbxpbga-uhfffaoysa-n.1

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 240.33 g/mol
Molecular Formula C14H12N2S
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass240.07211956 g/mol
Monoisotopic Mass240.07211956 g/mol
Topological Polar Surface Area53.2 Ų
Heavy Atom Count17
Formal Charge0
Complexity251
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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