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

C78H74BBrF6N18O11S4 — CID 164947642

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

6-amino-5-(2-amino-1,3-benzothiazol-6-yl)pyridine-3-carboxylic acid;6-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;methyl 6-amino-5-(2-amino-1,3-benzothiazol-6-yl)pyridine-3-carboxylate;methyl 6-amino-5-bromopyridine-3-carboxylate;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-amine;1-[2-(trifluoromethoxy)phenyl]ethanamine (PubChem CID 164947642) has the molecular formula C78H74BBrF6N18O11S4 and a molecular weight of 1772.54 g/mol. Its IUPAC name is 6-amino-5-(2-amino-1,3-benzothiazol-6-yl)pyridine-3-carboxylic acid;6-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;methyl 6-amino-5-(2-amino-1,3-benzothiazol-6-yl)pyridine-3-carboxylate;methyl 6-amino-5-bromopyridine-3-carboxylate;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-amine;1-[2-(trifluoromethoxy)phenyl]ethanamine.

Molecular Properties

• Compound Name: 6-amino-5-(2-amino-1,3-benzothiazol-6-yl)pyridine-3-carboxylic acid;6-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;methyl 6-amino-5-(2-amino-1,3-benzothiazol-6-yl)pyridine-3-carboxylate;methyl 6-amino-5-bromopyridine-3-carboxylate;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-amine;1-[2-(trifluoromethoxy)phenyl]ethanamine
• PubChem CID: 164947642
• Molecular Formula: C78H74BBrF6N18O11S4
• Molecular Weight: 1772.54 g/mol
• Exact Mass: 1770.38
• IUPAC Name: 6-amino-5-(2-amino-1,3-benzothiazol-6-yl)pyridine-3-carboxylic acid;6-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;methyl 6-amino-5-(2-amino-1,3-benzothiazol-6-yl)pyridine-3-carboxylate;methyl 6-amino-5-bromopyridine-3-carboxylate;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-amine;1-[2-(trifluoromethoxy)phenyl]ethanamine
• SMILES: CC(N)c1ccccc1OC(F)(F)F.CC(NC(=O)c1cnc(N)c(-c2ccc3nc(N)sc3c2)c1)c1ccccc1OC(F)(F)F.CC1(C)OB(c2ccc3nc(N)sc3c2)OC1(C)C.COC(=O)c1cnc(N)c(-c2ccc3nc(N)sc3c2)c1.COC(=O)c1cnc(N)c(Br)c1.Nc1nc2ccc(-c3cc(C(=O)O)cnc3N)cc2s1
• InChI: InChI=1S/C22H18F3N5O2S.C14H12N4O2S.C13H17BN2O2S.C13H10N4O2S.C9H10F3NO.C7H7BrN2O2/c1-11(14-4-2-3-5-17(14)32-22(23,24)25)29-20(31)13-8-15(19(26)28-10-13)12-6-7-16-18(9-12)33-21(27)30-16;1-20-13(19)8-4-9(12(15)17-6-8)7-2-3-10-11(5-7)21-14(16)18-10;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(3-7(5-16-11)12(18)19)6-1-2-9-10(4-6)20-13(15)17-9;1-6(13)7-4-2-3-5-8(7)14-9(10,11)12;1-12-7(11)4-2-5(8)6(9)10-3-4/h2-11H,1H3,(H2,26,28)(H2,27,30)(H,29,31);2-6H,1H3,(H2,15,17)(H2,16,18);5-7H,1-4H3,(H2,15,16);1-5H,(H2,14,16)(H2,15,17)(H,18,19);2-6H,13H2,1H3;2-3H,1H3,(H2,9,10)
• InChIKey: ACFAQFNBTSXTOZ-UHFFFAOYSA-N
• XLogP: 15.44
• TPSA: 493.22 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 31
• Rotatable Bonds: 13
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1772.54
LogP ≤ 5	15.44
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 6-amino-5-(2-amino-1,3-benzothiazol-6-yl)pyridine-3-carboxylic acid;6-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;methyl 6-amino-5-(2-amino-1,3-benzothiazol-6-yl)pyridine-3-carboxylate;methyl 6-amino-5-bromopyridine-3-carboxylate;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-amine;1-[2-(trifluoromethoxy)phenyl]ethanamine (CID 164947642) is 6-amino-5-(2-amino-1,3-benzothiazol-6-yl)pyridine-3-carboxylic acid;6-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;methyl 6-amino-5-(2-amino-1,3-benzothiazol-6-yl)pyridine-3-carboxylate;methyl 6-amino-5-bromopyridine-3-carboxylate;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-amine;1-[2-(trifluoromethoxy)phenyl]ethanamine.

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

The canonical SMILES for 6-amino-5-(2-amino-1,3-benzothiazol-6-yl)pyridine-3-carboxylic acid;6-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;methyl 6-amino-5-(2-amino-1,3-benzothiazol-6-yl)pyridine-3-carboxylate;methyl 6-amino-5-bromopyridine-3-carboxylate;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-amine;1-[2-(trifluoromethoxy)phenyl]ethanamine is CC(N)c1ccccc1OC(F)(F)F.CC(NC(=O)c1cnc(N)c(-c2ccc3nc(N)sc3c2)c1)c1ccccc1OC(F)(F)F.CC1(C)OB(c2ccc3nc(N)sc3c2)OC1(C)C.COC(=O)c1cnc(N)c(-c2ccc3nc(N)sc3c2)c1.COC(=O)c1cnc(N)c(Br)c1.Nc1nc2ccc(-c3cc(C(=O)O)cnc3N)cc2s1.

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

The InChIKey is ACFAQFNBTSXTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5O2S.C14H12N4O2S.C13H17BN2O2S.C13H10N4O2S.C9H10F3NO.C7H7BrN2O2/c1-11(14-4-2-3-5-17(14)32-22(23,24)25)29-20(31)13-8-15(19(26)28-10-13)12-6-7-16-18(9-12)33-21(27)30-16;1-20-13(19)8-4-9(12(15)17-6-8)7-2-3-10-11(5-7)21-14(16)18-10;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(3-7(5-16-11)12(18)19)6-1-2-9-10(4-6)20-13(15)17-9;1-6(13)7-4-2-3-5-8(7)14-9(10,11)12;1-12-7(11)4-2-5(8)6(9)10-3-4/h2-11H,1H3,(H2,26,28)(H2,27,30)(H,29,31);2-6H,1H3,(H2,15,17)(H2,16,18);5-7H,1-4H3,(H2,15,16);1-5H,(H2,14,16)(H2,15,17)(H,18,19);2-6H,13H2,1H3;2-3H,1H3,(H2,9,10).

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

6-amino-5-(2-amino-1,3-benzothiazol-6-yl)pyridine-3-carboxylic acid;6-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;methyl 6-amino-5-(2-amino-1,3-benzothiazol-6-yl)pyridine-3-carboxylate;methyl 6-amino-5-bromopyridine-3-carboxylate;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-amine;1-[2-(trifluoromethoxy)phenyl]ethanamine has a molecular weight of 1772.54 g/mol, XLogP of 15.44, 13 rotatable bonds, 11 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-5-(2-amino-1,3-benzothiazol-6-yl)pyridine-3-carboxylic acid;6-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;methyl 6-amino-5-(2-amino-1,3-benzothiazol-6-yl)pyridine-3-carboxylate;methyl 6-amino-5-bromopyridine-3-carboxylate;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-amine;1-[2-(trifluoromethoxy)phenyl]ethanamine is sourced from PubChem (CID 164947642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).