5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopentylmethoxy)-6-fluorophenyl]methyl]-2-methylpyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-6-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-(3-phenylpropyl)pyridine-3-carboxamide;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3R)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;5-(2-amino-1,3-benzothiazol-6-yl)-6-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide

C147H134F10N24O14S6 — CID 165042926

About 5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopentylmethoxy)-6-fluorophenyl]methyl]-2-methylpyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-6-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-(3-phenylpropyl)pyridine-3-carboxamide;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3R)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;5-(2-amino-1,3-benzothiazol-6-yl)-6-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide

5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopentylmethoxy)-6-fluorophenyl]methyl]-2-methylpyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-6-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-(3-phenylpropyl)pyridine-3-carboxamide;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3R)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;5-(2-amino-1,3-benzothiazol-6-yl)-6-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide (PubChem CID 165042926) has the molecular formula C147H134F10N24O14S6 and a molecular weight of 2843.22 g/mol. Its IUPAC name is 5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopentylmethoxy)-6-fluorophenyl]methyl]-2-methylpyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-6-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-(3-phenylpropyl)pyridine-3-carboxamide;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3R)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;5-(2-amino-1,3-benzothiazol-6-yl)-6-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopentylmethoxy)-6-fluorophenyl]methyl]-2-methylpyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-6-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-(3-phenylpropyl)pyridine-3-carboxamide;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3R)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;5-(2-amino-1,3-benzothiazol-6-yl)-6-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide
• PubChem CID: 165042926
• Molecular Formula: C147H134F10N24O14S6
• Molecular Weight: 2843.22 g/mol
• Exact Mass: 2840.87
• IUPAC Name: 5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopentylmethoxy)-6-fluorophenyl]methyl]-2-methylpyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-6-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-(3-phenylpropyl)pyridine-3-carboxamide;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3R)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;5-(2-amino-1,3-benzothiazol-6-yl)-6-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide
• SMILES: COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)N1CCC[C@H](Cc2ccc(F)cc2)C1.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NCCCc1ccccc1.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NCc1cc(OC(F)(F)F)ccc1F.COc1ncc(C(=O)NCc2cc(F)ccc2OC2CCCC2)cc1-c1ccc2nc(N)sc2c1.Cc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NCc1c(F)cccc1OCC1CCCC1.Cc1ncc(C(=O)NC(C)c2ccccc2OC(F)(F)F)cc1-c1ccc2nc(N)sc2c1
• InChI: InChI=1S/C27H27FN4O2S.C26H25FN4O3S.C26H25FN4O2S.C23H19F3N4O2S.C23H22N4O2S.C22H16F4N4O3S/c1-16-20(11-19(13-30-16)18-9-10-23-25(12-18)35-27(29)32-23)26(33)31-14-21-22(28)7-4-8-24(21)34-15-17-5-2-3-6-17;1-33-25-20(15-6-8-21-23(12-15)35-26(28)31-21)11-17(14-30-25)24(32)29-13-16-10-18(27)7-9-22(16)34-19-4-2-3-5-19;1-33-24-21(12-19(14-29-24)18-6-9-22-23(13-18)34-26(28)30-22)25(32)31-10-2-3-17(15-31)11-16-4-7-20(27)8-5-16;1-12-17(14-7-8-18-20(10-14)33-22(27)30-18)9-15(11-28-12)21(31)29-13(2)16-5-3-4-6-19(16)32-23(24,25)26;1-29-22-18(21(28)25-11-5-8-15-6-3-2-4-7-15)12-17(14-26-22)16-9-10-19-20(13-16)30-23(24)27-19;1-32-20-15(7-12(9-29-20)11-2-5-17-18(8-11)34-21(27)30-17)19(31)28-10-13-6-14(3-4-16(13)23)33-22(24,25)26/h4,7-13,17H,2-3,5-6,14-15H2,1H3,(H2,29,32)(H,31,33);6-12,14,19H,2-5,13H2,1H3,(H2,28,31)(H,29,32);4-9,12-14,17H,2-3,10-11,15H2,1H3,(H2,28,30);3-11,13H,1-2H3,(H2,27,30)(H,29,31);2-4,6-7,9-10,12-14H,5,8,11H2,1H3,(H2,24,27)(H,25,28);2-9H,10H2,1H3,(H2,27,30)(H,28,31)/t;;17-;;;/m..1.../s1
• InChIKey: OKSPVCXFDQXRML-BWKBLWMOSA-N
• XLogP: 31.28
• TPSA: 550.45 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 38
• Rotatable Bonds: 37
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2843.22
LogP ≤ 5	31.28
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopentylmethoxy)-6-fluorophenyl]methyl]-2-methylpyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-6-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-(3-phenylpropyl)pyridine-3-carboxamide;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3R)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;5-(2-amino-1,3-benzothiazol-6-yl)-6-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide?

The IUPAC name of 5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopentylmethoxy)-6-fluorophenyl]methyl]-2-methylpyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-6-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-(3-phenylpropyl)pyridine-3-carboxamide;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3R)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;5-(2-amino-1,3-benzothiazol-6-yl)-6-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide (CID 165042926) is 5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopentylmethoxy)-6-fluorophenyl]methyl]-2-methylpyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-6-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-(3-phenylpropyl)pyridine-3-carboxamide;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3R)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;5-(2-amino-1,3-benzothiazol-6-yl)-6-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide.

What is the SMILES notation for 5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopentylmethoxy)-6-fluorophenyl]methyl]-2-methylpyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-6-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-(3-phenylpropyl)pyridine-3-carboxamide;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3R)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;5-(2-amino-1,3-benzothiazol-6-yl)-6-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide?

The canonical SMILES for 5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopentylmethoxy)-6-fluorophenyl]methyl]-2-methylpyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-6-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-(3-phenylpropyl)pyridine-3-carboxamide;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3R)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;5-(2-amino-1,3-benzothiazol-6-yl)-6-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide is COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)N1CCC[C@H](Cc2ccc(F)cc2)C1.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NCCCc1ccccc1.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NCc1cc(OC(F)(F)F)ccc1F.COc1ncc(C(=O)NCc2cc(F)ccc2OC2CCCC2)cc1-c1ccc2nc(N)sc2c1.Cc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NCc1c(F)cccc1OCC1CCCC1.Cc1ncc(C(=O)NC(C)c2ccccc2OC(F)(F)F)cc1-c1ccc2nc(N)sc2c1.

What is the InChIKey of 5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopentylmethoxy)-6-fluorophenyl]methyl]-2-methylpyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-6-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-(3-phenylpropyl)pyridine-3-carboxamide;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3R)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;5-(2-amino-1,3-benzothiazol-6-yl)-6-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide?

The InChIKey is OKSPVCXFDQXRML-BWKBLWMOSA-N. The full InChI is InChI=1S/C27H27FN4O2S.C26H25FN4O3S.C26H25FN4O2S.C23H19F3N4O2S.C23H22N4O2S.C22H16F4N4O3S/c1-16-20(11-19(13-30-16)18-9-10-23-25(12-18)35-27(29)32-23)26(33)31-14-21-22(28)7-4-8-24(21)34-15-17-5-2-3-6-17;1-33-25-20(15-6-8-21-23(12-15)35-26(28)31-21)11-17(14-30-25)24(32)29-13-16-10-18(27)7-9-22(16)34-19-4-2-3-5-19;1-33-24-21(12-19(14-29-24)18-6-9-22-23(13-18)34-26(28)30-22)25(32)31-10-2-3-17(15-31)11-16-4-7-20(27)8-5-16;1-12-17(14-7-8-18-20(10-14)33-22(27)30-18)9-15(11-28-12)21(31)29-13(2)16-5-3-4-6-19(16)32-23(24,25)26;1-29-22-18(21(28)25-11-5-8-15-6-3-2-4-7-15)12-17(14-26-22)16-9-10-19-20(13-16)30-23(24)27-19;1-32-20-15(7-12(9-29-20)11-2-5-17-18(8-11)34-21(27)30-17)19(31)28-10-13-6-14(3-4-16(13)23)33-22(24,25)26/h4,7-13,17H,2-3,5-6,14-15H2,1H3,(H2,29,32)(H,31,33);6-12,14,19H,2-5,13H2,1H3,(H2,28,31)(H,29,32);4-9,12-14,17H,2-3,10-11,15H2,1H3,(H2,28,30);3-11,13H,1-2H3,(H2,27,30)(H,29,31);2-4,6-7,9-10,12-14H,5,8,11H2,1H3,(H2,24,27)(H,25,28);2-9H,10H2,1H3,(H2,27,30)(H,28,31)/t;;17-;;;/m..1.../s1.

What are the key properties of 5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopentylmethoxy)-6-fluorophenyl]methyl]-2-methylpyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-6-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-(3-phenylpropyl)pyridine-3-carboxamide;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3R)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;5-(2-amino-1,3-benzothiazol-6-yl)-6-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide?

5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopentylmethoxy)-6-fluorophenyl]methyl]-2-methylpyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-6-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-(3-phenylpropyl)pyridine-3-carboxamide;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3R)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;5-(2-amino-1,3-benzothiazol-6-yl)-6-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide has a molecular weight of 2843.22 g/mol, XLogP of 31.28, 37 rotatable bonds, 11 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-(cyclopentylmethoxy)-6-fluorophenyl]methyl]-2-methylpyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-6-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-(3-phenylpropyl)pyridine-3-carboxamide;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3R)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;5-(2-amino-1,3-benzothiazol-6-yl)-6-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 165042926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).