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

C105H117B3Br2N16O19S5 — CID 164979556

About 5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;6-bromo-1,3-benzothiazol-2-amine;[2-(cyclopropylmethoxy)phenyl]methanamine;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;methyl 5-bromo-2-methoxypyridine-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

5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;6-bromo-1,3-benzothiazol-2-amine;[2-(cyclopropylmethoxy)phenyl]methanamine;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;methyl 5-bromo-2-methoxypyridine-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 (PubChem CID 164979556) has the molecular formula C105H117B3Br2N16O19S5 and a molecular weight of 2259.76 g/mol. Its IUPAC name is 5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;6-bromo-1,3-benzothiazol-2-amine;[2-(cyclopropylmethoxy)phenyl]methanamine;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;methyl 5-bromo-2-methoxypyridine-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.

Molecular Properties

• Compound Name: 5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;6-bromo-1,3-benzothiazol-2-amine;[2-(cyclopropylmethoxy)phenyl]methanamine;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;methyl 5-bromo-2-methoxypyridine-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
• PubChem CID: 164979556
• Molecular Formula: C105H117B3Br2N16O19S5
• Molecular Weight: 2259.76 g/mol
• Exact Mass: 2256.59
• IUPAC Name: 5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;6-bromo-1,3-benzothiazol-2-amine;[2-(cyclopropylmethoxy)phenyl]methanamine;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;methyl 5-bromo-2-methoxypyridine-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
• SMILES: CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3nc(N)sc3c2)OC1(C)C.COC(=O)c1cc(-c2ccc3nc(N)sc3c2)cnc1OC.COC(=O)c1cc(Br)cnc1OC.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NCc1ccccc1OCC1CC1.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)O.NCc1ccccc1OCC1CC1.Nc1nc2ccc(Br)cc2s1
• InChI: InChI=1S/C25H24N4O3S.C15H13N3O3S.C14H11N3O3S.C13H17BN2O2S.C12H24B2O4.C11H15NO.C8H8BrNO3.C7H5BrN2S/c1-31-24-19(10-18(13-28-24)16-8-9-20-22(11-16)33-25(26)29-20)23(30)27-12-17-4-2-3-5-21(17)32-14-15-6-7-15;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;1-12(2)13(3,4)18-14(17-12)8-5-6-9-10(7-8)19-11(15)16-9;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;12-7-10-3-1-2-4-11(10)13-8-9-5-6-9;1-12-7-6(8(11)13-2)3-5(9)4-10-7;8-4-1-2-5-6(3-4)11-7(9)10-5/h2-5,8-11,13,15H,6-7,12,14H2,1H3,(H2,26,29)(H,27,30);3-7H,1-2H3,(H2,16,18);2-6H,1H3,(H2,15,17)(H,18,19);5-7H,1-4H3,(H2,15,16);1-8H3;1-4,9H,5-8,12H2;3-4H,1-2H3;1-3H,(H2,9,10)
• InChIKey: FGZMPJVXQXUWAS-UHFFFAOYSA-N
• XLogP: 20.69
• TPSA: 501.89 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 38
• Rotatable Bonds: 22
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2259.76
LogP ≤ 5	20.69
H-Bond Donors ≤ 5	8
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 5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;6-bromo-1,3-benzothiazol-2-amine;[2-(cyclopropylmethoxy)phenyl]methanamine;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;methyl 5-bromo-2-methoxypyridine-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?

The IUPAC name of 5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;6-bromo-1,3-benzothiazol-2-amine;[2-(cyclopropylmethoxy)phenyl]methanamine;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;methyl 5-bromo-2-methoxypyridine-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 (CID 164979556) is 5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;6-bromo-1,3-benzothiazol-2-amine;[2-(cyclopropylmethoxy)phenyl]methanamine;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;methyl 5-bromo-2-methoxypyridine-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.

What is the SMILES notation for 5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;6-bromo-1,3-benzothiazol-2-amine;[2-(cyclopropylmethoxy)phenyl]methanamine;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;methyl 5-bromo-2-methoxypyridine-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?

The canonical SMILES for 5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;6-bromo-1,3-benzothiazol-2-amine;[2-(cyclopropylmethoxy)phenyl]methanamine;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;methyl 5-bromo-2-methoxypyridine-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 is CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3nc(N)sc3c2)OC1(C)C.COC(=O)c1cc(-c2ccc3nc(N)sc3c2)cnc1OC.COC(=O)c1cc(Br)cnc1OC.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NCc1ccccc1OCC1CC1.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)O.NCc1ccccc1OCC1CC1.Nc1nc2ccc(Br)cc2s1.

What is the InChIKey of 5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;6-bromo-1,3-benzothiazol-2-amine;[2-(cyclopropylmethoxy)phenyl]methanamine;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;methyl 5-bromo-2-methoxypyridine-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?

The InChIKey is FGZMPJVXQXUWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3S.C15H13N3O3S.C14H11N3O3S.C13H17BN2O2S.C12H24B2O4.C11H15NO.C8H8BrNO3.C7H5BrN2S/c1-31-24-19(10-18(13-28-24)16-8-9-20-22(11-16)33-25(26)29-20)23(30)27-12-17-4-2-3-5-21(17)32-14-15-6-7-15;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;1-12(2)13(3,4)18-14(17-12)8-5-6-9-10(7-8)19-11(15)16-9;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;12-7-10-3-1-2-4-11(10)13-8-9-5-6-9;1-12-7-6(8(11)13-2)3-5(9)4-10-7;8-4-1-2-5-6(3-4)11-7(9)10-5/h2-5,8-11,13,15H,6-7,12,14H2,1H3,(H2,26,29)(H,27,30);3-7H,1-2H3,(H2,16,18);2-6H,1H3,(H2,15,17)(H,18,19);5-7H,1-4H3,(H2,15,16);1-8H3;1-4,9H,5-8,12H2;3-4H,1-2H3;1-3H,(H2,9,10).

What are the key properties of 5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;6-bromo-1,3-benzothiazol-2-amine;[2-(cyclopropylmethoxy)phenyl]methanamine;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;methyl 5-bromo-2-methoxypyridine-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?

5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;6-bromo-1,3-benzothiazol-2-amine;[2-(cyclopropylmethoxy)phenyl]methanamine;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;methyl 5-bromo-2-methoxypyridine-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 has a molecular weight of 2259.76 g/mol, XLogP of 20.69, 22 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;6-bromo-1,3-benzothiazol-2-amine;[2-(cyclopropylmethoxy)phenyl]methanamine;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;methyl 5-bromo-2-methoxypyridine-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 is sourced from PubChem (CID 164979556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).