4-(19F)fluoro-N-(6-hydroxy-1,3-benzothiazol-2-yl)(19F)benzamide;6-(19F)fluoro-N-(6-hydroxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide;3-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)(19F)benzamide;4-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)(19F)benzamide;4-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide;5-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide;6-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide

C99H69F7N18O14S7 — CID 159395513

About 4-(19F)fluoro-N-(6-hydroxy-1,3-benzothiazol-2-yl)(19F)benzamide;6-(19F)fluoro-N-(6-hydroxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide;3-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)(19F)benzamide;4-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)(19F)benzamide;4-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide;5-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide;6-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide

4-(19F)fluoro-N-(6-hydroxy-1,3-benzothiazol-2-yl)(19F)benzamide;6-(19F)fluoro-N-(6-hydroxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide;3-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)(19F)benzamide;4-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)(19F)benzamide;4-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide;5-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide;6-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide (PubChem CID 159395513) has the molecular formula C99H69F7N18O14S7 and a molecular weight of 2092.21 g/mol. Its IUPAC name is 4-(19F)fluoro-N-(6-hydroxy-1,3-benzothiazol-2-yl)(19F)benzamide;6-(19F)fluoro-N-(6-hydroxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide;3-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)(19F)benzamide;4-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)(19F)benzamide;4-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide;5-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide;6-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-(19F)fluoro-N-(6-hydroxy-1,3-benzothiazol-2-yl)(19F)benzamide;6-(19F)fluoro-N-(6-hydroxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide;3-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)(19F)benzamide;4-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)(19F)benzamide;4-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide;5-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide;6-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
• PubChem CID: 159395513
• Molecular Formula: C99H69F7N18O14S7
• Molecular Weight: 2092.21 g/mol
• Exact Mass: 2090.32
• IUPAC Name: 4-(19F)fluoro-N-(6-hydroxy-1,3-benzothiazol-2-yl)(19F)benzamide;6-(19F)fluoro-N-(6-hydroxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide;3-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)(19F)benzamide;4-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)(19F)benzamide;4-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide;5-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide;6-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
• SMILES: COc1ccc2nc(NC(=O)c3cc([19F])ccn3)sc2c1.COc1ccc2nc(NC(=O)c3ccc([19F])cc3)sc2c1.COc1ccc2nc(NC(=O)c3ccc([19F])cn3)sc2c1.COc1ccc2nc(NC(=O)c3cccc([19F])c3)sc2c1.COc1ccc2nc(NC(=O)c3cccc([19F])n3)sc2c1.O=C(Nc1nc2ccc(O)cc2s1)c1ccc([19F])cc1.O=C(Nc1nc2ccc(O)cc2s1)c1cccc([19F])n1
• InChI: InChI=1S/2C15H11FN2O2S.3C14H10FN3O2S.C14H9FN2O2S.C13H8FN3O2S/c1-20-11-6-7-12-13(8-11)21-15(17-12)18-14(19)9-2-4-10(16)5-3-9;1-20-11-5-6-12-13(8-11)21-15(17-12)18-14(19)9-3-2-4-10(16)7-9;1-20-9-3-5-10-12(6-9)21-14(17-10)18-13(19)11-4-2-8(15)7-16-11;1-20-9-2-3-10-12(7-9)21-14(17-10)18-13(19)11-6-8(15)4-5-16-11;1-20-8-5-6-9-11(7-8)21-14(17-9)18-13(19)10-3-2-4-12(15)16-10;15-9-3-1-8(2-4-9)13(19)17-14-16-11-6-5-10(18)7-12(11)20-14;14-11-3-1-2-9(15-11)12(19)17-13-16-8-5-4-7(18)6-10(8)20-13/h2*2-8H,1H3,(H,17,18,19);3*2-7H,1H3,(H,17,18,19);1-7,18H,(H,16,17,19);1-6,18H,(H,16,17,19)/i2*16+0;4*15+0;14+0
• InChIKey: LMQVHLASKFLRHG-VLQHSCLESA-N
• XLogP: 22.85
• TPSA: 432.10 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 32
• Rotatable Bonds: 19
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2092.21
LogP ≤ 5	22.85
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(19F)fluoro-N-(6-hydroxy-1,3-benzothiazol-2-yl)(19F)benzamide;6-(19F)fluoro-N-(6-hydroxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide;3-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)(19F)benzamide;4-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)(19F)benzamide;4-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide;5-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide;6-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide?

The IUPAC name of 4-(19F)fluoro-N-(6-hydroxy-1,3-benzothiazol-2-yl)(19F)benzamide;6-(19F)fluoro-N-(6-hydroxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide;3-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)(19F)benzamide;4-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)(19F)benzamide;4-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide;5-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide;6-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide (CID 159395513) is 4-(19F)fluoro-N-(6-hydroxy-1,3-benzothiazol-2-yl)(19F)benzamide;6-(19F)fluoro-N-(6-hydroxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide;3-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)(19F)benzamide;4-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)(19F)benzamide;4-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide;5-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide;6-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide.

What is the SMILES notation for 4-(19F)fluoro-N-(6-hydroxy-1,3-benzothiazol-2-yl)(19F)benzamide;6-(19F)fluoro-N-(6-hydroxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide;3-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)(19F)benzamide;4-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)(19F)benzamide;4-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide;5-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide;6-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide?

The canonical SMILES for 4-(19F)fluoro-N-(6-hydroxy-1,3-benzothiazol-2-yl)(19F)benzamide;6-(19F)fluoro-N-(6-hydroxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide;3-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)(19F)benzamide;4-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)(19F)benzamide;4-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide;5-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide;6-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide is COc1ccc2nc(NC(=O)c3cc([19F])ccn3)sc2c1.COc1ccc2nc(NC(=O)c3ccc([19F])cc3)sc2c1.COc1ccc2nc(NC(=O)c3ccc([19F])cn3)sc2c1.COc1ccc2nc(NC(=O)c3cccc([19F])c3)sc2c1.COc1ccc2nc(NC(=O)c3cccc([19F])n3)sc2c1.O=C(Nc1nc2ccc(O)cc2s1)c1ccc([19F])cc1.O=C(Nc1nc2ccc(O)cc2s1)c1cccc([19F])n1.

What is the InChIKey of 4-(19F)fluoro-N-(6-hydroxy-1,3-benzothiazol-2-yl)(19F)benzamide;6-(19F)fluoro-N-(6-hydroxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide;3-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)(19F)benzamide;4-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)(19F)benzamide;4-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide;5-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide;6-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide?

The InChIKey is LMQVHLASKFLRHG-VLQHSCLESA-N. The full InChI is InChI=1S/2C15H11FN2O2S.3C14H10FN3O2S.C14H9FN2O2S.C13H8FN3O2S/c1-20-11-6-7-12-13(8-11)21-15(17-12)18-14(19)9-2-4-10(16)5-3-9;1-20-11-5-6-12-13(8-11)21-15(17-12)18-14(19)9-3-2-4-10(16)7-9;1-20-9-3-5-10-12(6-9)21-14(17-10)18-13(19)11-4-2-8(15)7-16-11;1-20-9-2-3-10-12(7-9)21-14(17-10)18-13(19)11-6-8(15)4-5-16-11;1-20-8-5-6-9-11(7-8)21-14(17-9)18-13(19)10-3-2-4-12(15)16-10;15-9-3-1-8(2-4-9)13(19)17-14-16-11-6-5-10(18)7-12(11)20-14;14-11-3-1-2-9(15-11)12(19)17-13-16-8-5-4-7(18)6-10(8)20-13/h2*2-8H,1H3,(H,17,18,19);3*2-7H,1H3,(H,17,18,19);1-7,18H,(H,16,17,19);1-6,18H,(H,16,17,19)/i2*16+0;4*15+0;14+0.

What are the key properties of 4-(19F)fluoro-N-(6-hydroxy-1,3-benzothiazol-2-yl)(19F)benzamide;6-(19F)fluoro-N-(6-hydroxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide;3-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)(19F)benzamide;4-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)(19F)benzamide;4-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide;5-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide;6-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide?

4-(19F)fluoro-N-(6-hydroxy-1,3-benzothiazol-2-yl)(19F)benzamide;6-(19F)fluoro-N-(6-hydroxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide;3-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)(19F)benzamide;4-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)(19F)benzamide;4-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide;5-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide;6-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide has a molecular weight of 2092.21 g/mol, XLogP of 22.85, 19 rotatable bonds, 9 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(19F)fluoro-N-(6-hydroxy-1,3-benzothiazol-2-yl)(19F)benzamide;6-(19F)fluoro-N-(6-hydroxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide;3-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)(19F)benzamide;4-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)(19F)benzamide;4-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide;5-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide;6-(19F)fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 159395513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).