2-amino-5-(2-amino-1,3-benzothiazol-6-yl)pyridine-3-carboxylic acid;2-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;6-bromo-1,3-benzothiazol-2-amine;ethyl 2-amino-5-(2-amino-1,3-benzothiazol-6-yl)pyridine-3-carboxylate;ethyl 2-amino-5-bromopyridine-3-carboxylate;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1-[2-(trifluoromethoxy)phenyl]ethanamine

C99H107B3Br2F6N20O15S5 — CID 165075699

About 2-amino-5-(2-amino-1,3-benzothiazol-6-yl)pyridine-3-carboxylic acid;2-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;6-bromo-1,3-benzothiazol-2-amine;ethyl 2-amino-5-(2-amino-1,3-benzothiazol-6-yl)pyridine-3-carboxylate;ethyl 2-amino-5-bromopyridine-3-carboxylate;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1-[2-(trifluoromethoxy)phenyl]ethanamine

2-amino-5-(2-amino-1,3-benzothiazol-6-yl)pyridine-3-carboxylic acid;2-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;6-bromo-1,3-benzothiazol-2-amine;ethyl 2-amino-5-(2-amino-1,3-benzothiazol-6-yl)pyridine-3-carboxylate;ethyl 2-amino-5-bromopyridine-3-carboxylate;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1-[2-(trifluoromethoxy)phenyl]ethanamine (PubChem CID 165075699) has the molecular formula C99H107B3Br2F6N20O15S5 and a molecular weight of 2283.64 g/mol. Its IUPAC name is 2-amino-5-(2-amino-1,3-benzothiazol-6-yl)pyridine-3-carboxylic acid;2-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;6-bromo-1,3-benzothiazol-2-amine;ethyl 2-amino-5-(2-amino-1,3-benzothiazol-6-yl)pyridine-3-carboxylate;ethyl 2-amino-5-bromopyridine-3-carboxylate;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1-[2-(trifluoromethoxy)phenyl]ethanamine.

Molecular Properties

• Compound Name: 2-amino-5-(2-amino-1,3-benzothiazol-6-yl)pyridine-3-carboxylic acid;2-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;6-bromo-1,3-benzothiazol-2-amine;ethyl 2-amino-5-(2-amino-1,3-benzothiazol-6-yl)pyridine-3-carboxylate;ethyl 2-amino-5-bromopyridine-3-carboxylate;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1-[2-(trifluoromethoxy)phenyl]ethanamine
• PubChem CID: 165075699
• Molecular Formula: C99H107B3Br2F6N20O15S5
• Molecular Weight: 2283.64 g/mol
• Exact Mass: 2280.54
• IUPAC Name: 2-amino-5-(2-amino-1,3-benzothiazol-6-yl)pyridine-3-carboxylic acid;2-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;6-bromo-1,3-benzothiazol-2-amine;ethyl 2-amino-5-(2-amino-1,3-benzothiazol-6-yl)pyridine-3-carboxylate;ethyl 2-amino-5-bromopyridine-3-carboxylate;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1-[2-(trifluoromethoxy)phenyl]ethanamine
• SMILES: CC(N)c1ccccc1OC(F)(F)F.CC(NC(=O)c1cc(-c2ccc3nc(N)sc3c2)cnc1N)c1ccccc1OC(F)(F)F.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3nc(N)sc3c2)OC1(C)C.CCOC(=O)c1cc(-c2ccc3nc(N)sc3c2)cnc1N.CCOC(=O)c1cc(Br)cnc1N.Nc1nc2ccc(-c3cnc(N)c(C(=O)O)c3)cc2s1.Nc1nc2ccc(Br)cc2s1
• InChI: InChI=1S/C22H18F3N5O2S.C15H14N4O2S.C13H17BN2O2S.C13H10N4O2S.C12H24B2O4.C9H10F3NO.C8H9BrN2O2.C7H5BrN2S/c1-11(14-4-2-3-5-17(14)32-22(23,24)25)29-20(31)15-8-13(10-28-19(15)26)12-6-7-16-18(9-12)33-21(27)30-16;1-2-21-14(20)10-5-9(7-18-13(10)16)8-3-4-11-12(6-8)22-15(17)19-11;1-12(2)13(3,4)18-14(17-12)8-5-6-9-10(7-8)19-11(15)16-9;14-11-8(12(18)19)3-7(5-16-11)6-1-2-9-10(4-6)20-13(15)17-9;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-6(13)7-4-2-3-5-8(7)14-9(10,11)12;1-2-13-8(12)6-3-5(9)4-11-7(6)10;8-4-1-2-5-6(3-4)11-7(9)10-5/h2-11H,1H3,(H2,26,28)(H2,27,30)(H,29,31);3-7H,2H2,1H3,(H2,16,18)(H2,17,19);5-7H,1-4H3,(H2,15,16);1-5H,(H2,14,16)(H2,15,17)(H,18,19);1-8H3;2-6H,13H2,1H3;3-4H,2H2,1H3,(H2,10,11);1-3H,(H2,9,10)
• InChIKey: UGOURSVHEMAXON-UHFFFAOYSA-N
• XLogP: 21.11
• TPSA: 569.05 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 38
• Rotatable Bonds: 16
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2283.64
LogP ≤ 5	21.11
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2-amino-1,3-benzothiazol-6-yl)pyridine-3-carboxylic acid;2-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;6-bromo-1,3-benzothiazol-2-amine;ethyl 2-amino-5-(2-amino-1,3-benzothiazol-6-yl)pyridine-3-carboxylate;ethyl 2-amino-5-bromopyridine-3-carboxylate;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1-[2-(trifluoromethoxy)phenyl]ethanamine?

The IUPAC name of 2-amino-5-(2-amino-1,3-benzothiazol-6-yl)pyridine-3-carboxylic acid;2-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;6-bromo-1,3-benzothiazol-2-amine;ethyl 2-amino-5-(2-amino-1,3-benzothiazol-6-yl)pyridine-3-carboxylate;ethyl 2-amino-5-bromopyridine-3-carboxylate;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1-[2-(trifluoromethoxy)phenyl]ethanamine (CID 165075699) is 2-amino-5-(2-amino-1,3-benzothiazol-6-yl)pyridine-3-carboxylic acid;2-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;6-bromo-1,3-benzothiazol-2-amine;ethyl 2-amino-5-(2-amino-1,3-benzothiazol-6-yl)pyridine-3-carboxylate;ethyl 2-amino-5-bromopyridine-3-carboxylate;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1-[2-(trifluoromethoxy)phenyl]ethanamine.

What is the SMILES notation for 2-amino-5-(2-amino-1,3-benzothiazol-6-yl)pyridine-3-carboxylic acid;2-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;6-bromo-1,3-benzothiazol-2-amine;ethyl 2-amino-5-(2-amino-1,3-benzothiazol-6-yl)pyridine-3-carboxylate;ethyl 2-amino-5-bromopyridine-3-carboxylate;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1-[2-(trifluoromethoxy)phenyl]ethanamine?

The canonical SMILES for 2-amino-5-(2-amino-1,3-benzothiazol-6-yl)pyridine-3-carboxylic acid;2-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;6-bromo-1,3-benzothiazol-2-amine;ethyl 2-amino-5-(2-amino-1,3-benzothiazol-6-yl)pyridine-3-carboxylate;ethyl 2-amino-5-bromopyridine-3-carboxylate;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1-[2-(trifluoromethoxy)phenyl]ethanamine is CC(N)c1ccccc1OC(F)(F)F.CC(NC(=O)c1cc(-c2ccc3nc(N)sc3c2)cnc1N)c1ccccc1OC(F)(F)F.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3nc(N)sc3c2)OC1(C)C.CCOC(=O)c1cc(-c2ccc3nc(N)sc3c2)cnc1N.CCOC(=O)c1cc(Br)cnc1N.Nc1nc2ccc(-c3cnc(N)c(C(=O)O)c3)cc2s1.Nc1nc2ccc(Br)cc2s1.

What is the InChIKey of 2-amino-5-(2-amino-1,3-benzothiazol-6-yl)pyridine-3-carboxylic acid;2-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;6-bromo-1,3-benzothiazol-2-amine;ethyl 2-amino-5-(2-amino-1,3-benzothiazol-6-yl)pyridine-3-carboxylate;ethyl 2-amino-5-bromopyridine-3-carboxylate;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1-[2-(trifluoromethoxy)phenyl]ethanamine?

The InChIKey is UGOURSVHEMAXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5O2S.C15H14N4O2S.C13H17BN2O2S.C13H10N4O2S.C12H24B2O4.C9H10F3NO.C8H9BrN2O2.C7H5BrN2S/c1-11(14-4-2-3-5-17(14)32-22(23,24)25)29-20(31)15-8-13(10-28-19(15)26)12-6-7-16-18(9-12)33-21(27)30-16;1-2-21-14(20)10-5-9(7-18-13(10)16)8-3-4-11-12(6-8)22-15(17)19-11;1-12(2)13(3,4)18-14(17-12)8-5-6-9-10(7-8)19-11(15)16-9;14-11-8(12(18)19)3-7(5-16-11)6-1-2-9-10(4-6)20-13(15)17-9;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-6(13)7-4-2-3-5-8(7)14-9(10,11)12;1-2-13-8(12)6-3-5(9)4-11-7(6)10;8-4-1-2-5-6(3-4)11-7(9)10-5/h2-11H,1H3,(H2,26,28)(H2,27,30)(H,29,31);3-7H,2H2,1H3,(H2,16,18)(H2,17,19);5-7H,1-4H3,(H2,15,16);1-5H,(H2,14,16)(H2,15,17)(H,18,19);1-8H3;2-6H,13H2,1H3;3-4H,2H2,1H3,(H2,10,11);1-3H,(H2,9,10).

What are the key properties of 2-amino-5-(2-amino-1,3-benzothiazol-6-yl)pyridine-3-carboxylic acid;2-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;6-bromo-1,3-benzothiazol-2-amine;ethyl 2-amino-5-(2-amino-1,3-benzothiazol-6-yl)pyridine-3-carboxylate;ethyl 2-amino-5-bromopyridine-3-carboxylate;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1-[2-(trifluoromethoxy)phenyl]ethanamine?

2-amino-5-(2-amino-1,3-benzothiazol-6-yl)pyridine-3-carboxylic acid;2-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;6-bromo-1,3-benzothiazol-2-amine;ethyl 2-amino-5-(2-amino-1,3-benzothiazol-6-yl)pyridine-3-carboxylate;ethyl 2-amino-5-bromopyridine-3-carboxylate;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1-[2-(trifluoromethoxy)phenyl]ethanamine has a molecular weight of 2283.64 g/mol, XLogP of 21.11, 16 rotatable bonds, 12 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-5-(2-amino-1,3-benzothiazol-6-yl)pyridine-3-carboxylic acid;2-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;6-bromo-1,3-benzothiazol-2-amine;ethyl 2-amino-5-(2-amino-1,3-benzothiazol-6-yl)pyridine-3-carboxylate;ethyl 2-amino-5-bromopyridine-3-carboxylate;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1-[2-(trifluoromethoxy)phenyl]ethanamine is sourced from PubChem (CID 165075699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).