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

C59H49F6N11O10S3 — CID 165049923

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-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;[2-(trifluoromethoxy)phenyl]methanamine

5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;[2-(trifluoromethoxy)phenyl]methanamine (PubChem CID 165049923) has the molecular formula C59H49F6N11O10S3 and a molecular weight of 1282.30 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-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;[2-(trifluoromethoxy)phenyl]methanamine.

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-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;[2-(trifluoromethoxy)phenyl]methanamine
• PubChem CID: 165049923
• Molecular Formula: C59H49F6N11O10S3
• Molecular Weight: 1282.30 g/mol
• Exact Mass: 1281.27
• 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-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;[2-(trifluoromethoxy)phenyl]methanamine
• SMILES: COC(=O)c1cc(-c2ccc3nc(N)sc3c2)cnc1OC.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NCc1ccccc1OC(F)(F)F.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)O.NCc1ccccc1OC(F)(F)F
• InChI: InChI=1S/C22H17F3N4O3S.C15H13N3O3S.C14H11N3O3S.C8H8F3NO/c1-31-20-15(19(30)27-10-13-4-2-3-5-17(13)32-22(23,24)25)8-14(11-28-20)12-6-7-16-18(9-12)33-21(26)29-16;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;9-8(10,11)13-7-4-2-1-3-6(7)5-12/h2-9,11H,10H2,1H3,(H2,26,29)(H,27,30);3-7H,1-2H3,(H2,16,18);2-6H,1H3,(H2,15,17)(H,18,19);1-4H,5,12H2
• InChIKey: PMPGBQXOHDIJHS-UHFFFAOYSA-N
• XLogP: 12.20
• TPSA: 320.27 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 14
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1282.30
LogP ≤ 5	12.20
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-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;[2-(trifluoromethoxy)phenyl]methanamine?

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-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;[2-(trifluoromethoxy)phenyl]methanamine (CID 165049923) 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-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;[2-(trifluoromethoxy)phenyl]methanamine.

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-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;[2-(trifluoromethoxy)phenyl]methanamine?

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-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;[2-(trifluoromethoxy)phenyl]methanamine is COC(=O)c1cc(-c2ccc3nc(N)sc3c2)cnc1OC.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NCc1ccccc1OC(F)(F)F.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)O.NCc1ccccc1OC(F)(F)F.

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-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;[2-(trifluoromethoxy)phenyl]methanamine?

The InChIKey is PMPGBQXOHDIJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O3S.C15H13N3O3S.C14H11N3O3S.C8H8F3NO/c1-31-20-15(19(30)27-10-13-4-2-3-5-17(13)32-22(23,24)25)8-14(11-28-20)12-6-7-16-18(9-12)33-21(26)29-16;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;9-8(10,11)13-7-4-2-1-3-6(7)5-12/h2-9,11H,10H2,1H3,(H2,26,29)(H,27,30);3-7H,1-2H3,(H2,16,18);2-6H,1H3,(H2,15,17)(H,18,19);1-4H,5,12H2.

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-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;[2-(trifluoromethoxy)phenyl]methanamine?

5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;[2-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 1282.30 g/mol, XLogP of 12.20, 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-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;[2-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 165049923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).