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;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-3-ylmethyl)pyridin-3-amine;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

C158H116F6N26O2S4 — CID 161105525

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;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-3-ylmethyl)pyridin-3-amine;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;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-3-ylmethyl)pyridin-3-amine;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 161105525) has the molecular formula C158H116F6N26O2S4 and a molecular weight of 2653.10 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;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-3-ylmethyl)pyridin-3-amine;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;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-3-ylmethyl)pyridin-3-amine;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: 161105525
• Molecular Formula: C158H116F6N26O2S4
• Molecular Weight: 2653.10 g/mol
• Exact Mass: 2650.86
• 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;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-3-ylmethyl)pyridin-3-amine;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(NCc3ccc(NC=O)cc3)cc2-c2ccc3nccnc3c2)ccc1F.Cc1cc(-c2ncc(NCc3cccnc3)cc2-c2ccc3ncsc3c2)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.C26H19FN4OS.C25H19FN4S.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;1-16-10-18(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;1-16-9-19(4-6-22(16)26)25-21(18-5-7-23-24(10-18)31-15-30-23)11-20(14-29-25)28-13-17-3-2-8-27-12-17;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;2-15,31H,1H3,(H,29,32);2-12,14-15,28H,13H2,1H3;2-14H,1H3,(H,26,29)
• InChIKey: UIZOHVMPOKLLKV-UHFFFAOYSA-N
• XLogP: 40.47
• TPSA: 345.34 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 28
• Rotatable Bonds: 32
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2653.10
LogP ≤ 5	40.47
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	28

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;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-3-ylmethyl)pyridin-3-amine;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;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-3-ylmethyl)pyridin-3-amine;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 161105525) 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;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-3-ylmethyl)pyridin-3-amine;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;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-3-ylmethyl)pyridin-3-amine;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;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-3-ylmethyl)pyridin-3-amine;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(NCc3ccc(NC=O)cc3)cc2-c2ccc3nccnc3c2)ccc1F.Cc1cc(-c2ncc(NCc3cccnc3)cc2-c2ccc3ncsc3c2)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;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-3-ylmethyl)pyridin-3-amine;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 UIZOHVMPOKLLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22FN5O.C28H20FN5.C27H19FN4S.C26H19FN4OS.C25H19FN4S.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;1-16-10-18(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;1-16-9-19(4-6-22(16)26)25-21(18-5-7-23-24(10-18)31-15-30-23)11-20(14-29-25)28-13-17-3-2-8-27-12-17;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;2-15,31H,1H3,(H,29,32);2-12,14-15,28H,13H2,1H3;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;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-3-ylmethyl)pyridin-3-amine;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;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-3-ylmethyl)pyridin-3-amine;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 2653.10 g/mol, XLogP of 40.47, 32 rotatable bonds, 8 hydrogen bond donors, and 28 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;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-3-ylmethyl)pyridin-3-amine;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 161105525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).