[4-(5-fluoro-1,3-benzothiazol-2-yl)-2-pyridinyl]methanamine;[6-(5-fluoro-1,3-benzothiazol-2-yl)-3-pyridinyl]methanamine;2-(5-fluoro-3-pyridinyl)-5-methoxy-1,3-benzothiazole;2-(6-fluoro-3-pyridinyl)-5-methoxy-1,3-benzothiazole;5-(5-methoxy-1,3-benzothiazol-2-yl)-N-methylpyridin-2-amine;4-(5-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carbonitrile;5-methoxy-2-(6-methyl-2-pyridinyl)-1,3-benzothiazole;2-[6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-5-ol

C107H83F4N21O6S8 — CID 158582500

About [4-(5-fluoro-1,3-benzothiazol-2-yl)-2-pyridinyl]methanamine;[6-(5-fluoro-1,3-benzothiazol-2-yl)-3-pyridinyl]methanamine;2-(5-fluoro-3-pyridinyl)-5-methoxy-1,3-benzothiazole;2-(6-fluoro-3-pyridinyl)-5-methoxy-1,3-benzothiazole;5-(5-methoxy-1,3-benzothiazol-2-yl)-N-methylpyridin-2-amine;4-(5-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carbonitrile;5-methoxy-2-(6-methyl-2-pyridinyl)-1,3-benzothiazole;2-[6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-5-ol

[4-(5-fluoro-1,3-benzothiazol-2-yl)-2-pyridinyl]methanamine;[6-(5-fluoro-1,3-benzothiazol-2-yl)-3-pyridinyl]methanamine;2-(5-fluoro-3-pyridinyl)-5-methoxy-1,3-benzothiazole;2-(6-fluoro-3-pyridinyl)-5-methoxy-1,3-benzothiazole;5-(5-methoxy-1,3-benzothiazol-2-yl)-N-methylpyridin-2-amine;4-(5-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carbonitrile;5-methoxy-2-(6-methyl-2-pyridinyl)-1,3-benzothiazole;2-[6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-5-ol (PubChem CID 158582500) has the molecular formula C107H83F4N21O6S8 and a molecular weight of 2091.51 g/mol. Its IUPAC name is [4-(5-fluoro-1,3-benzothiazol-2-yl)-2-pyridinyl]methanamine;[6-(5-fluoro-1,3-benzothiazol-2-yl)-3-pyridinyl]methanamine;2-(5-fluoro-3-pyridinyl)-5-methoxy-1,3-benzothiazole;2-(6-fluoro-3-pyridinyl)-5-methoxy-1,3-benzothiazole;5-(5-methoxy-1,3-benzothiazol-2-yl)-N-methylpyridin-2-amine;4-(5-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carbonitrile;5-methoxy-2-(6-methyl-2-pyridinyl)-1,3-benzothiazole;2-[6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-5-ol.

Molecular Properties

• Compound Name: [4-(5-fluoro-1,3-benzothiazol-2-yl)-2-pyridinyl]methanamine;[6-(5-fluoro-1,3-benzothiazol-2-yl)-3-pyridinyl]methanamine;2-(5-fluoro-3-pyridinyl)-5-methoxy-1,3-benzothiazole;2-(6-fluoro-3-pyridinyl)-5-methoxy-1,3-benzothiazole;5-(5-methoxy-1,3-benzothiazol-2-yl)-N-methylpyridin-2-amine;4-(5-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carbonitrile;5-methoxy-2-(6-methyl-2-pyridinyl)-1,3-benzothiazole;2-[6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-5-ol
• PubChem CID: 158582500
• Molecular Formula: C107H83F4N21O6S8
• Molecular Weight: 2091.51 g/mol
• Exact Mass: 2089.45
• IUPAC Name: [4-(5-fluoro-1,3-benzothiazol-2-yl)-2-pyridinyl]methanamine;[6-(5-fluoro-1,3-benzothiazol-2-yl)-3-pyridinyl]methanamine;2-(5-fluoro-3-pyridinyl)-5-methoxy-1,3-benzothiazole;2-(6-fluoro-3-pyridinyl)-5-methoxy-1,3-benzothiazole;5-(5-methoxy-1,3-benzothiazol-2-yl)-N-methylpyridin-2-amine;4-(5-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carbonitrile;5-methoxy-2-(6-methyl-2-pyridinyl)-1,3-benzothiazole;2-[6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-5-ol
• SMILES: CNc1ccc(-c2nc3cc(O)ccc3s2)cn1.CNc1ccc(-c2nc3cc(OC)ccc3s2)cn1.COc1ccc2sc(-c3ccc(F)nc3)nc2c1.COc1ccc2sc(-c3cccc(C)n3)nc2c1.COc1ccc2sc(-c3ccncc3C#N)nc2c1.COc1ccc2sc(-c3cncc(F)c3)nc2c1.NCc1cc(-c2nc3cc(F)ccc3s2)ccn1.NCc1ccc(-c2nc3cc(F)ccc3s2)nc1
• InChI: InChI=1S/C14H13N3OS.C14H9N3OS.C14H12N2OS.2C13H10FN3S.2C13H9FN2OS.C13H11N3OS/c1-15-13-6-3-9(8-16-13)14-17-11-7-10(18-2)4-5-12(11)19-14;1-18-10-2-3-13-12(6-10)17-14(19-13)11-4-5-16-8-9(11)7-15;1-9-4-3-5-11(15-9)14-16-12-8-10(17-2)6-7-13(12)18-14;14-9-2-4-12-11(5-9)17-13(18-12)10-3-1-8(6-15)7-16-10;14-9-1-2-12-11(6-9)17-13(18-12)8-3-4-16-10(5-8)7-15;1-17-9-3-4-11-10(6-9)16-13(18-11)8-2-5-12(14)15-7-8;1-17-10-2-3-12-11(5-10)16-13(18-12)8-4-9(14)7-15-6-8;1-14-12-5-2-8(7-15-12)13-16-10-6-9(17)3-4-11(10)18-13/h3-8H,1-2H3,(H,15,16);2-6,8H,1H3;3-8H,1-2H3;1-5,7H,6,15H2;1-6H,7,15H2;2*2-7H,1H3;2-7,17H,1H3,(H,14,15)
• InChIKey: HTKRUVJVROAGFR-UHFFFAOYSA-N
• XLogP: 26.35
• TPSA: 372.51 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 35
• Rotatable Bonds: 17
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2091.51
LogP ≤ 5	26.35
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-(5-fluoro-1,3-benzothiazol-2-yl)-2-pyridinyl]methanamine;[6-(5-fluoro-1,3-benzothiazol-2-yl)-3-pyridinyl]methanamine;2-(5-fluoro-3-pyridinyl)-5-methoxy-1,3-benzothiazole;2-(6-fluoro-3-pyridinyl)-5-methoxy-1,3-benzothiazole;5-(5-methoxy-1,3-benzothiazol-2-yl)-N-methylpyridin-2-amine;4-(5-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carbonitrile;5-methoxy-2-(6-methyl-2-pyridinyl)-1,3-benzothiazole;2-[6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-5-ol?

The IUPAC name of [4-(5-fluoro-1,3-benzothiazol-2-yl)-2-pyridinyl]methanamine;[6-(5-fluoro-1,3-benzothiazol-2-yl)-3-pyridinyl]methanamine;2-(5-fluoro-3-pyridinyl)-5-methoxy-1,3-benzothiazole;2-(6-fluoro-3-pyridinyl)-5-methoxy-1,3-benzothiazole;5-(5-methoxy-1,3-benzothiazol-2-yl)-N-methylpyridin-2-amine;4-(5-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carbonitrile;5-methoxy-2-(6-methyl-2-pyridinyl)-1,3-benzothiazole;2-[6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-5-ol (CID 158582500) is [4-(5-fluoro-1,3-benzothiazol-2-yl)-2-pyridinyl]methanamine;[6-(5-fluoro-1,3-benzothiazol-2-yl)-3-pyridinyl]methanamine;2-(5-fluoro-3-pyridinyl)-5-methoxy-1,3-benzothiazole;2-(6-fluoro-3-pyridinyl)-5-methoxy-1,3-benzothiazole;5-(5-methoxy-1,3-benzothiazol-2-yl)-N-methylpyridin-2-amine;4-(5-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carbonitrile;5-methoxy-2-(6-methyl-2-pyridinyl)-1,3-benzothiazole;2-[6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-5-ol.

What is the SMILES notation for [4-(5-fluoro-1,3-benzothiazol-2-yl)-2-pyridinyl]methanamine;[6-(5-fluoro-1,3-benzothiazol-2-yl)-3-pyridinyl]methanamine;2-(5-fluoro-3-pyridinyl)-5-methoxy-1,3-benzothiazole;2-(6-fluoro-3-pyridinyl)-5-methoxy-1,3-benzothiazole;5-(5-methoxy-1,3-benzothiazol-2-yl)-N-methylpyridin-2-amine;4-(5-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carbonitrile;5-methoxy-2-(6-methyl-2-pyridinyl)-1,3-benzothiazole;2-[6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-5-ol?

The canonical SMILES for [4-(5-fluoro-1,3-benzothiazol-2-yl)-2-pyridinyl]methanamine;[6-(5-fluoro-1,3-benzothiazol-2-yl)-3-pyridinyl]methanamine;2-(5-fluoro-3-pyridinyl)-5-methoxy-1,3-benzothiazole;2-(6-fluoro-3-pyridinyl)-5-methoxy-1,3-benzothiazole;5-(5-methoxy-1,3-benzothiazol-2-yl)-N-methylpyridin-2-amine;4-(5-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carbonitrile;5-methoxy-2-(6-methyl-2-pyridinyl)-1,3-benzothiazole;2-[6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-5-ol is CNc1ccc(-c2nc3cc(O)ccc3s2)cn1.CNc1ccc(-c2nc3cc(OC)ccc3s2)cn1.COc1ccc2sc(-c3ccc(F)nc3)nc2c1.COc1ccc2sc(-c3cccc(C)n3)nc2c1.COc1ccc2sc(-c3ccncc3C#N)nc2c1.COc1ccc2sc(-c3cncc(F)c3)nc2c1.NCc1cc(-c2nc3cc(F)ccc3s2)ccn1.NCc1ccc(-c2nc3cc(F)ccc3s2)nc1.

What is the InChIKey of [4-(5-fluoro-1,3-benzothiazol-2-yl)-2-pyridinyl]methanamine;[6-(5-fluoro-1,3-benzothiazol-2-yl)-3-pyridinyl]methanamine;2-(5-fluoro-3-pyridinyl)-5-methoxy-1,3-benzothiazole;2-(6-fluoro-3-pyridinyl)-5-methoxy-1,3-benzothiazole;5-(5-methoxy-1,3-benzothiazol-2-yl)-N-methylpyridin-2-amine;4-(5-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carbonitrile;5-methoxy-2-(6-methyl-2-pyridinyl)-1,3-benzothiazole;2-[6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-5-ol?

The InChIKey is HTKRUVJVROAGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS.C14H9N3OS.C14H12N2OS.2C13H10FN3S.2C13H9FN2OS.C13H11N3OS/c1-15-13-6-3-9(8-16-13)14-17-11-7-10(18-2)4-5-12(11)19-14;1-18-10-2-3-13-12(6-10)17-14(19-13)11-4-5-16-8-9(11)7-15;1-9-4-3-5-11(15-9)14-16-12-8-10(17-2)6-7-13(12)18-14;14-9-2-4-12-11(5-9)17-13(18-12)10-3-1-8(6-15)7-16-10;14-9-1-2-12-11(6-9)17-13(18-12)8-3-4-16-10(5-8)7-15;1-17-9-3-4-11-10(6-9)16-13(18-11)8-2-5-12(14)15-7-8;1-17-10-2-3-12-11(5-10)16-13(18-12)8-4-9(14)7-15-6-8;1-14-12-5-2-8(7-15-12)13-16-10-6-9(17)3-4-11(10)18-13/h3-8H,1-2H3,(H,15,16);2-6,8H,1H3;3-8H,1-2H3;1-5,7H,6,15H2;1-6H,7,15H2;2*2-7H,1H3;2-7,17H,1H3,(H,14,15).

What are the key properties of [4-(5-fluoro-1,3-benzothiazol-2-yl)-2-pyridinyl]methanamine;[6-(5-fluoro-1,3-benzothiazol-2-yl)-3-pyridinyl]methanamine;2-(5-fluoro-3-pyridinyl)-5-methoxy-1,3-benzothiazole;2-(6-fluoro-3-pyridinyl)-5-methoxy-1,3-benzothiazole;5-(5-methoxy-1,3-benzothiazol-2-yl)-N-methylpyridin-2-amine;4-(5-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carbonitrile;5-methoxy-2-(6-methyl-2-pyridinyl)-1,3-benzothiazole;2-[6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-5-ol?

[4-(5-fluoro-1,3-benzothiazol-2-yl)-2-pyridinyl]methanamine;[6-(5-fluoro-1,3-benzothiazol-2-yl)-3-pyridinyl]methanamine;2-(5-fluoro-3-pyridinyl)-5-methoxy-1,3-benzothiazole;2-(6-fluoro-3-pyridinyl)-5-methoxy-1,3-benzothiazole;5-(5-methoxy-1,3-benzothiazol-2-yl)-N-methylpyridin-2-amine;4-(5-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carbonitrile;5-methoxy-2-(6-methyl-2-pyridinyl)-1,3-benzothiazole;2-[6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-5-ol has a molecular weight of 2091.51 g/mol, XLogP of 26.35, 17 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(5-fluoro-1,3-benzothiazol-2-yl)-2-pyridinyl]methanamine;[6-(5-fluoro-1,3-benzothiazol-2-yl)-3-pyridinyl]methanamine;2-(5-fluoro-3-pyridinyl)-5-methoxy-1,3-benzothiazole;2-(6-fluoro-3-pyridinyl)-5-methoxy-1,3-benzothiazole;5-(5-methoxy-1,3-benzothiazol-2-yl)-N-methylpyridin-2-amine;4-(5-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carbonitrile;5-methoxy-2-(6-methyl-2-pyridinyl)-1,3-benzothiazole;2-[6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-5-ol is sourced from PubChem (CID 158582500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).