5-(2-amino-1,3-benzothiazol-6-yl)-6-chloro-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-6-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide;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)-N-[[2-(cyclopropylmethoxy)phenyl]methyl]pyridine-3-carboxamide;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone

C148H135ClF6N24O15S6 — CID 164988643

About 5-(2-amino-1,3-benzothiazol-6-yl)-6-chloro-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-6-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide;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)-N-[[2-(cyclopropylmethoxy)phenyl]methyl]pyridine-3-carboxamide;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone

5-(2-amino-1,3-benzothiazol-6-yl)-6-chloro-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-6-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide;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)-N-[[2-(cyclopropylmethoxy)phenyl]methyl]pyridine-3-carboxamide;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone (PubChem CID 164988643) has the molecular formula C148H135ClF6N24O15S6 and a molecular weight of 2831.70 g/mol. Its IUPAC name is 5-(2-amino-1,3-benzothiazol-6-yl)-6-chloro-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-6-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide;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)-N-[[2-(cyclopropylmethoxy)phenyl]methyl]pyridine-3-carboxamide;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: 5-(2-amino-1,3-benzothiazol-6-yl)-6-chloro-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-6-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide;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)-N-[[2-(cyclopropylmethoxy)phenyl]methyl]pyridine-3-carboxamide;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone
• PubChem CID: 164988643
• Molecular Formula: C148H135ClF6N24O15S6
• Molecular Weight: 2831.70 g/mol
• Exact Mass: 2828.85
• IUPAC Name: 5-(2-amino-1,3-benzothiazol-6-yl)-6-chloro-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-6-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide;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)-N-[[2-(cyclopropylmethoxy)phenyl]methyl]pyridine-3-carboxamide;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone
• SMILES: COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)N1CCC[C@@H](Cc2ccc(F)cc2)C1.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NCc1c(F)cccc1OC1CCCC1.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NCc1cc(F)ccc1OC1CCCC1.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NCc1ccccc1OCC1CC1.Nc1nc2ccc(-c3cc(C(=O)NCc4cccc(OC(F)(F)F)c4)cnc3Cl)cc2s1.Nc1nc2ccc(-c3cncc(C(=O)NCc4ccccc4OCC4CC4)c3)cc2s1
• InChI: InChI=1S/2C26H25FN4O3S.C26H25FN4O2S.C25H24N4O3S.C24H22N4O2S.C21H14ClF3N4O2S/c1-33-25-18(11-16(13-30-25)15-9-10-21-23(12-15)35-26(28)31-21)24(32)29-14-19-20(27)7-4-8-22(19)34-17-5-2-3-6-17;1-33-25-20(11-16(13-30-25)15-6-8-21-23(12-15)35-26(28)31-21)24(32)29-14-17-10-18(27)7-9-22(17)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;1-31-24-19(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;25-24-28-20-8-7-16(10-22(20)31-24)18-9-19(12-26-11-18)23(29)27-13-17-3-1-2-4-21(17)30-14-15-5-6-15;22-18-15(12-4-5-16-17(8-12)32-20(26)29-16)7-13(10-27-18)19(30)28-9-11-2-1-3-14(6-11)31-21(23,24)25/h4,7-13,17H,2-3,5-6,14H2,1H3,(H2,28,31)(H,29,32);6-13,19H,2-5,14H2,1H3,(H2,28,31)(H,29,32);4-9,12-14,17H,2-3,10-11,15H2,1H3,(H2,28,30);2-5,8-11,13,15H,6-7,12,14H2,1H3,(H2,26,29)(H,27,30);1-4,7-12,15H,5-6,13-14H2,(H2,25,28)(H,27,29);1-8,10H,9H2,(H2,26,29)(H,28,30)/t;;17-;;;/m..0.../s1
• InChIKey: GNLCVWRUJDOXEO-SGIIYRDSSA-N
• XLogP: 30.61
• TPSA: 559.68 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 39
• Rotatable Bonds: 39
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2831.70
LogP ≤ 5	30.61
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 5-(2-amino-1,3-benzothiazol-6-yl)-6-chloro-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-6-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide;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)-N-[[2-(cyclopropylmethoxy)phenyl]methyl]pyridine-3-carboxamide;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone (CID 164988643) is 5-(2-amino-1,3-benzothiazol-6-yl)-6-chloro-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-6-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide;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)-N-[[2-(cyclopropylmethoxy)phenyl]methyl]pyridine-3-carboxamide;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone.

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

The canonical SMILES for 5-(2-amino-1,3-benzothiazol-6-yl)-6-chloro-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-6-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide;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)-N-[[2-(cyclopropylmethoxy)phenyl]methyl]pyridine-3-carboxamide;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone is COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)N1CCC[C@@H](Cc2ccc(F)cc2)C1.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NCc1c(F)cccc1OC1CCCC1.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NCc1cc(F)ccc1OC1CCCC1.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NCc1ccccc1OCC1CC1.Nc1nc2ccc(-c3cc(C(=O)NCc4cccc(OC(F)(F)F)c4)cnc3Cl)cc2s1.Nc1nc2ccc(-c3cncc(C(=O)NCc4ccccc4OCC4CC4)c3)cc2s1.

What is the InChIKey of 5-(2-amino-1,3-benzothiazol-6-yl)-6-chloro-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-6-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide;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)-N-[[2-(cyclopropylmethoxy)phenyl]methyl]pyridine-3-carboxamide;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone?

The InChIKey is GNLCVWRUJDOXEO-SGIIYRDSSA-N. The full InChI is InChI=1S/2C26H25FN4O3S.C26H25FN4O2S.C25H24N4O3S.C24H22N4O2S.C21H14ClF3N4O2S/c1-33-25-18(11-16(13-30-25)15-9-10-21-23(12-15)35-26(28)31-21)24(32)29-14-19-20(27)7-4-8-22(19)34-17-5-2-3-6-17;1-33-25-20(11-16(13-30-25)15-6-8-21-23(12-15)35-26(28)31-21)24(32)29-14-17-10-18(27)7-9-22(17)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;1-31-24-19(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;25-24-28-20-8-7-16(10-22(20)31-24)18-9-19(12-26-11-18)23(29)27-13-17-3-1-2-4-21(17)30-14-15-5-6-15;22-18-15(12-4-5-16-17(8-12)32-20(26)29-16)7-13(10-27-18)19(30)28-9-11-2-1-3-14(6-11)31-21(23,24)25/h4,7-13,17H,2-3,5-6,14H2,1H3,(H2,28,31)(H,29,32);6-13,19H,2-5,14H2,1H3,(H2,28,31)(H,29,32);4-9,12-14,17H,2-3,10-11,15H2,1H3,(H2,28,30);2-5,8-11,13,15H,6-7,12,14H2,1H3,(H2,26,29)(H,27,30);1-4,7-12,15H,5-6,13-14H2,(H2,25,28)(H,27,29);1-8,10H,9H2,(H2,26,29)(H,28,30)/t;;17-;;;/m..0.../s1.

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

5-(2-amino-1,3-benzothiazol-6-yl)-6-chloro-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-6-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide;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)-N-[[2-(cyclopropylmethoxy)phenyl]methyl]pyridine-3-carboxamide;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone has a molecular weight of 2831.70 g/mol, XLogP of 30.61, 39 rotatable bonds, 11 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-amino-1,3-benzothiazol-6-yl)-6-chloro-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-6-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide;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)-N-[[2-(cyclopropylmethoxy)phenyl]methyl]pyridine-3-carboxamide;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 164988643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).