5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(4-isocyanophenyl)methyl]pyridin-3-amine;N-[4-[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]phenyl]formamide;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-morpholin-4-ylpropanamide;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-pyridin-4-ylpyridin-3-amine;6-(4-fluoro-3-methylphenyl)-N-[(4-isocyanophenyl)methyl]-5-quinoxalin-6-ylpyridin-3-amine;N-[4-[[[6-(4-fluoro-3-methylphenyl)-5-quinoxalin-6-yl-3-pyridinyl]amino]methyl]phenyl]formamide

C159H122F6N26O4S4 — CID 160524228

About 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(4-isocyanophenyl)methyl]pyridin-3-amine;N-[4-[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]phenyl]formamide;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-morpholin-4-ylpropanamide;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-pyridin-4-ylpyridin-3-amine;6-(4-fluoro-3-methylphenyl)-N-[(4-isocyanophenyl)methyl]-5-quinoxalin-6-ylpyridin-3-amine;N-[4-[[[6-(4-fluoro-3-methylphenyl)-5-quinoxalin-6-yl-3-pyridinyl]amino]methyl]phenyl]formamide

5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(4-isocyanophenyl)methyl]pyridin-3-amine;N-[4-[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]phenyl]formamide;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-morpholin-4-ylpropanamide;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-pyridin-4-ylpyridin-3-amine;6-(4-fluoro-3-methylphenyl)-N-[(4-isocyanophenyl)methyl]-5-quinoxalin-6-ylpyridin-3-amine;N-[4-[[[6-(4-fluoro-3-methylphenyl)-5-quinoxalin-6-yl-3-pyridinyl]amino]methyl]phenyl]formamide (PubChem CID 160524228) has the molecular formula C159H122F6N26O4S4 and a molecular weight of 2703.16 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(4-isocyanophenyl)methyl]pyridin-3-amine;N-[4-[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]phenyl]formamide;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-morpholin-4-ylpropanamide;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-pyridin-4-ylpyridin-3-amine;6-(4-fluoro-3-methylphenyl)-N-[(4-isocyanophenyl)methyl]-5-quinoxalin-6-ylpyridin-3-amine;N-[4-[[[6-(4-fluoro-3-methylphenyl)-5-quinoxalin-6-yl-3-pyridinyl]amino]methyl]phenyl]formamide.

Molecular Properties

• Compound Name: 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(4-isocyanophenyl)methyl]pyridin-3-amine;N-[4-[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]phenyl]formamide;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-morpholin-4-ylpropanamide;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-pyridin-4-ylpyridin-3-amine;6-(4-fluoro-3-methylphenyl)-N-[(4-isocyanophenyl)methyl]-5-quinoxalin-6-ylpyridin-3-amine;N-[4-[[[6-(4-fluoro-3-methylphenyl)-5-quinoxalin-6-yl-3-pyridinyl]amino]methyl]phenyl]formamide
• PubChem CID: 160524228
• Molecular Formula: C159H122F6N26O4S4
• Molecular Weight: 2703.16 g/mol
• Exact Mass: 2700.89
• IUPAC Name: 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(4-isocyanophenyl)methyl]pyridin-3-amine;N-[4-[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]phenyl]formamide;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-morpholin-4-ylpropanamide;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-pyridin-4-ylpyridin-3-amine;6-(4-fluoro-3-methylphenyl)-N-[(4-isocyanophenyl)methyl]-5-quinoxalin-6-ylpyridin-3-amine;N-[4-[[[6-(4-fluoro-3-methylphenyl)-5-quinoxalin-6-yl-3-pyridinyl]amino]methyl]phenyl]formamide
• SMILES: Cc1cc(-c2ncc(NC(=O)CCN3CCOCC3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncc(NCc3ccc(NC=O)cc3)cc2-c2ccc3nccnc3c2)ccc1F.Cc1cc(-c2ncc(Nc3ccc(NC=O)cc3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncc(Nc3ccncc3)cc2-c2ccc3ncsc3c2)ccc1F.[C-]#[N+]c1ccc(CNc2cnc(-c3ccc(F)c(C)c3)c(-c3ccc4nccnc4c3)c2)cc1.[C-]#[N+]c1ccc(CNc2cnc(-c3ccc(F)c(C)c3)c(-c3ccc4ncsc4c3)c2)cc1
• InChI: InChI=1S/C28H22FN5O.C28H20FN5.C27H19FN4S.C26H25FN4O2S.C26H19FN4OS.C24H17FN4S/c1-18-12-21(4-8-25(18)29)28-24(20-5-9-26-27(13-20)31-11-10-30-26)14-23(16-33-28)32-15-19-2-6-22(7-3-19)34-17-35;1-18-13-21(5-9-25(18)29)28-24(20-6-10-26-27(14-20)32-12-11-31-26)15-23(17-34-28)33-16-19-3-7-22(30-2)8-4-19;1-17-11-20(5-9-24(17)28)27-23(19-6-10-25-26(12-19)33-16-32-25)13-22(15-31-27)30-14-18-3-7-21(29-2)8-4-18;1-17-12-19(2-4-22(17)27)26-21(18-3-5-23-24(13-18)34-16-29-23)14-20(15-28-26)30-25(32)6-7-31-8-10-33-11-9-31;1-16-10-18(2-8-23(16)27)26-22(17-3-9-24-25(11-17)33-15-30-24)12-21(13-28-26)31-20-6-4-19(5-7-20)29-14-32;1-15-10-17(2-4-21(15)25)24-20(16-3-5-22-23(11-16)30-14-28-22)12-19(13-27-24)29-18-6-8-26-9-7-18/h2-14,16-17,32H,15H2,1H3,(H,34,35);3-15,17,33H,16H2,1H3;3-13,15-16,30H,14H2,1H3;2-5,12-16H,6-11H2,1H3,(H,30,32);2-15,31H,1H3,(H,29,32);2-14H,1H3,(H,26,29)
• InChIKey: QURIDDFEKGEXFY-UHFFFAOYSA-N
• XLogP: 39.12
• TPSA: 361.99 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 29
• Rotatable Bonds: 33
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2703.16
LogP ≤ 5	39.12
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(4-isocyanophenyl)methyl]pyridin-3-amine;N-[4-[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]phenyl]formamide;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-morpholin-4-ylpropanamide;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-pyridin-4-ylpyridin-3-amine;6-(4-fluoro-3-methylphenyl)-N-[(4-isocyanophenyl)methyl]-5-quinoxalin-6-ylpyridin-3-amine;N-[4-[[[6-(4-fluoro-3-methylphenyl)-5-quinoxalin-6-yl-3-pyridinyl]amino]methyl]phenyl]formamide?

The IUPAC name of 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(4-isocyanophenyl)methyl]pyridin-3-amine;N-[4-[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]phenyl]formamide;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-morpholin-4-ylpropanamide;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-pyridin-4-ylpyridin-3-amine;6-(4-fluoro-3-methylphenyl)-N-[(4-isocyanophenyl)methyl]-5-quinoxalin-6-ylpyridin-3-amine;N-[4-[[[6-(4-fluoro-3-methylphenyl)-5-quinoxalin-6-yl-3-pyridinyl]amino]methyl]phenyl]formamide (CID 160524228) is 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(4-isocyanophenyl)methyl]pyridin-3-amine;N-[4-[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]phenyl]formamide;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-morpholin-4-ylpropanamide;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-pyridin-4-ylpyridin-3-amine;6-(4-fluoro-3-methylphenyl)-N-[(4-isocyanophenyl)methyl]-5-quinoxalin-6-ylpyridin-3-amine;N-[4-[[[6-(4-fluoro-3-methylphenyl)-5-quinoxalin-6-yl-3-pyridinyl]amino]methyl]phenyl]formamide.

What is the SMILES notation for 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(4-isocyanophenyl)methyl]pyridin-3-amine;N-[4-[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]phenyl]formamide;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-morpholin-4-ylpropanamide;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-pyridin-4-ylpyridin-3-amine;6-(4-fluoro-3-methylphenyl)-N-[(4-isocyanophenyl)methyl]-5-quinoxalin-6-ylpyridin-3-amine;N-[4-[[[6-(4-fluoro-3-methylphenyl)-5-quinoxalin-6-yl-3-pyridinyl]amino]methyl]phenyl]formamide?

The canonical SMILES for 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(4-isocyanophenyl)methyl]pyridin-3-amine;N-[4-[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]phenyl]formamide;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-morpholin-4-ylpropanamide;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-pyridin-4-ylpyridin-3-amine;6-(4-fluoro-3-methylphenyl)-N-[(4-isocyanophenyl)methyl]-5-quinoxalin-6-ylpyridin-3-amine;N-[4-[[[6-(4-fluoro-3-methylphenyl)-5-quinoxalin-6-yl-3-pyridinyl]amino]methyl]phenyl]formamide is Cc1cc(-c2ncc(NC(=O)CCN3CCOCC3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncc(NCc3ccc(NC=O)cc3)cc2-c2ccc3nccnc3c2)ccc1F.Cc1cc(-c2ncc(Nc3ccc(NC=O)cc3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncc(Nc3ccncc3)cc2-c2ccc3ncsc3c2)ccc1F.[C-]#[N+]c1ccc(CNc2cnc(-c3ccc(F)c(C)c3)c(-c3ccc4nccnc4c3)c2)cc1.[C-]#[N+]c1ccc(CNc2cnc(-c3ccc(F)c(C)c3)c(-c3ccc4ncsc4c3)c2)cc1.

What is the InChIKey of 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(4-isocyanophenyl)methyl]pyridin-3-amine;N-[4-[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]phenyl]formamide;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-morpholin-4-ylpropanamide;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-pyridin-4-ylpyridin-3-amine;6-(4-fluoro-3-methylphenyl)-N-[(4-isocyanophenyl)methyl]-5-quinoxalin-6-ylpyridin-3-amine;N-[4-[[[6-(4-fluoro-3-methylphenyl)-5-quinoxalin-6-yl-3-pyridinyl]amino]methyl]phenyl]formamide?

The InChIKey is QURIDDFEKGEXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22FN5O.C28H20FN5.C27H19FN4S.C26H25FN4O2S.C26H19FN4OS.C24H17FN4S/c1-18-12-21(4-8-25(18)29)28-24(20-5-9-26-27(13-20)31-11-10-30-26)14-23(16-33-28)32-15-19-2-6-22(7-3-19)34-17-35;1-18-13-21(5-9-25(18)29)28-24(20-6-10-26-27(14-20)32-12-11-31-26)15-23(17-34-28)33-16-19-3-7-22(30-2)8-4-19;1-17-11-20(5-9-24(17)28)27-23(19-6-10-25-26(12-19)33-16-32-25)13-22(15-31-27)30-14-18-3-7-21(29-2)8-4-18;1-17-12-19(2-4-22(17)27)26-21(18-3-5-23-24(13-18)34-16-29-23)14-20(15-28-26)30-25(32)6-7-31-8-10-33-11-9-31;1-16-10-18(2-8-23(16)27)26-22(17-3-9-24-25(11-17)33-15-30-24)12-21(13-28-26)31-20-6-4-19(5-7-20)29-14-32;1-15-10-17(2-4-21(15)25)24-20(16-3-5-22-23(11-16)30-14-28-22)12-19(13-27-24)29-18-6-8-26-9-7-18/h2-14,16-17,32H,15H2,1H3,(H,34,35);3-15,17,33H,16H2,1H3;3-13,15-16,30H,14H2,1H3;2-5,12-16H,6-11H2,1H3,(H,30,32);2-15,31H,1H3,(H,29,32);2-14H,1H3,(H,26,29).

What are the key properties of 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(4-isocyanophenyl)methyl]pyridin-3-amine;N-[4-[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]phenyl]formamide;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-morpholin-4-ylpropanamide;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-pyridin-4-ylpyridin-3-amine;6-(4-fluoro-3-methylphenyl)-N-[(4-isocyanophenyl)methyl]-5-quinoxalin-6-ylpyridin-3-amine;N-[4-[[[6-(4-fluoro-3-methylphenyl)-5-quinoxalin-6-yl-3-pyridinyl]amino]methyl]phenyl]formamide?

5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(4-isocyanophenyl)methyl]pyridin-3-amine;N-[4-[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]phenyl]formamide;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-morpholin-4-ylpropanamide;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-pyridin-4-ylpyridin-3-amine;6-(4-fluoro-3-methylphenyl)-N-[(4-isocyanophenyl)methyl]-5-quinoxalin-6-ylpyridin-3-amine;N-[4-[[[6-(4-fluoro-3-methylphenyl)-5-quinoxalin-6-yl-3-pyridinyl]amino]methyl]phenyl]formamide has a molecular weight of 2703.16 g/mol, XLogP of 39.12, 33 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(4-isocyanophenyl)methyl]pyridin-3-amine;N-[4-[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]phenyl]formamide;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-morpholin-4-ylpropanamide;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-pyridin-4-ylpyridin-3-amine;6-(4-fluoro-3-methylphenyl)-N-[(4-isocyanophenyl)methyl]-5-quinoxalin-6-ylpyridin-3-amine;N-[4-[[[6-(4-fluoro-3-methylphenyl)-5-quinoxalin-6-yl-3-pyridinyl]amino]methyl]phenyl]formamide is sourced from PubChem (CID 160524228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).