5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;1-[3-(trifluoromethoxy)phenyl]ethanamine

C61H53F6N11O10S3 — CID 165105515

About 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;1-[3-(trifluoromethoxy)phenyl]ethanamine

5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;1-[3-(trifluoromethoxy)phenyl]ethanamine (PubChem CID 165105515) has the molecular formula C61H53F6N11O10S3 and a molecular weight of 1310.35 g/mol. Its IUPAC name is 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;1-[3-(trifluoromethoxy)phenyl]ethanamine.

Molecular Properties

• Compound Name: 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;1-[3-(trifluoromethoxy)phenyl]ethanamine
• PubChem CID: 165105515
• Molecular Formula: C61H53F6N11O10S3
• Molecular Weight: 1310.35 g/mol
• Exact Mass: 1309.30
• IUPAC Name: 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;1-[3-(trifluoromethoxy)phenyl]ethanamine
• SMILES: CC(N)c1cccc(OC(F)(F)F)c1.COC(=O)c1cc(-c2ccc3nc(N)sc3c2)cnc1OC.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NC(C)c1cccc(OC(F)(F)F)c1.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)O
• InChI: InChI=1S/C23H19F3N4O3S.C15H13N3O3S.C14H11N3O3S.C9H10F3NO/c1-12(13-4-3-5-16(8-13)33-23(24,25)26)29-20(31)17-9-15(11-28-21(17)32-2)14-6-7-18-19(10-14)34-22(27)30-18;1-20-13-10(14(19)21-2)5-9(7-17-13)8-3-4-11-12(6-8)22-15(16)18-11;1-20-12-9(13(18)19)4-8(6-16-12)7-2-3-10-11(5-7)21-14(15)17-10;1-6(13)7-3-2-4-8(5-7)14-9(10,11)12/h3-12H,1-2H3,(H2,27,30)(H,29,31);3-7H,1-2H3,(H2,16,18);2-6H,1H3,(H2,15,17)(H,18,19);2-6H,13H2,1H3
• InChIKey: ZBBVWHRACSDNII-UHFFFAOYSA-N
• XLogP: 13.33
• TPSA: 320.27 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 14
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1310.35
LogP ≤ 5	13.33
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;1-[3-(trifluoromethoxy)phenyl]ethanamine?

The IUPAC name of 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;1-[3-(trifluoromethoxy)phenyl]ethanamine (CID 165105515) is 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;1-[3-(trifluoromethoxy)phenyl]ethanamine.

What is the SMILES notation for 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;1-[3-(trifluoromethoxy)phenyl]ethanamine?

The canonical SMILES for 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;1-[3-(trifluoromethoxy)phenyl]ethanamine is CC(N)c1cccc(OC(F)(F)F)c1.COC(=O)c1cc(-c2ccc3nc(N)sc3c2)cnc1OC.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NC(C)c1cccc(OC(F)(F)F)c1.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)O.

What is the InChIKey of 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;1-[3-(trifluoromethoxy)phenyl]ethanamine?

The InChIKey is ZBBVWHRACSDNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O3S.C15H13N3O3S.C14H11N3O3S.C9H10F3NO/c1-12(13-4-3-5-16(8-13)33-23(24,25)26)29-20(31)17-9-15(11-28-21(17)32-2)14-6-7-18-19(10-14)34-22(27)30-18;1-20-13-10(14(19)21-2)5-9(7-17-13)8-3-4-11-12(6-8)22-15(16)18-11;1-20-12-9(13(18)19)4-8(6-16-12)7-2-3-10-11(5-7)21-14(15)17-10;1-6(13)7-3-2-4-8(5-7)14-9(10,11)12/h3-12H,1-2H3,(H2,27,30)(H,29,31);3-7H,1-2H3,(H2,16,18);2-6H,1H3,(H2,15,17)(H,18,19);2-6H,13H2,1H3.

What are the key properties of 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;1-[3-(trifluoromethoxy)phenyl]ethanamine?

5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;1-[3-(trifluoromethoxy)phenyl]ethanamine has a molecular weight of 1310.35 g/mol, XLogP of 13.33, 14 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;1-[3-(trifluoromethoxy)phenyl]ethanamine is sourced from PubChem (CID 165105515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).