5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methanimidoylpyridin-2-imine;2-fluoro-5-[3-(7H-pyrrolo[3,4-b]pyridin-3-yl)-2-pyridinyl]benzonitrile;1-methanimidoyl-5-[2-(3-methylphenyl)-3-pyridinyl]pyridin-2-imine;6-[2-(3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole

C112H82F4N18S3 — CID 158347117

About 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methanimidoylpyridin-2-imine;2-fluoro-5-[3-(7H-pyrrolo[3,4-b]pyridin-3-yl)-2-pyridinyl]benzonitrile;1-methanimidoyl-5-[2-(3-methylphenyl)-3-pyridinyl]pyridin-2-imine;6-[2-(3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole

5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methanimidoylpyridin-2-imine;2-fluoro-5-[3-(7H-pyrrolo[3,4-b]pyridin-3-yl)-2-pyridinyl]benzonitrile;1-methanimidoyl-5-[2-(3-methylphenyl)-3-pyridinyl]pyridin-2-imine;6-[2-(3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole (PubChem CID 158347117) has the molecular formula C112H82F4N18S3 and a molecular weight of 1852.21 g/mol. Its IUPAC name is 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methanimidoylpyridin-2-imine;2-fluoro-5-[3-(7H-pyrrolo[3,4-b]pyridin-3-yl)-2-pyridinyl]benzonitrile;1-methanimidoyl-5-[2-(3-methylphenyl)-3-pyridinyl]pyridin-2-imine;6-[2-(3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole.

Molecular Properties

• Compound Name: 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methanimidoylpyridin-2-imine;2-fluoro-5-[3-(7H-pyrrolo[3,4-b]pyridin-3-yl)-2-pyridinyl]benzonitrile;1-methanimidoyl-5-[2-(3-methylphenyl)-3-pyridinyl]pyridin-2-imine;6-[2-(3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole
• PubChem CID: 158347117
• Molecular Formula: C112H82F4N18S3
• Molecular Weight: 1852.21 g/mol
• Exact Mass: 1850.61
• IUPAC Name: 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methanimidoylpyridin-2-imine;2-fluoro-5-[3-(7H-pyrrolo[3,4-b]pyridin-3-yl)-2-pyridinyl]benzonitrile;1-methanimidoyl-5-[2-(3-methylphenyl)-3-pyridinyl]pyridin-2-imine;6-[2-(3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole
• SMILES: Cc1cc(-c2ncccc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3scnc3c2)ccc1F.Cc1cccc(-c2ncccc2-c2ccc3ncsc3c2)c1.N#Cc1cc(-c2ncccc2-c2cnc3c(c2)C=NC3)ccc1F.[H]/N=C/n1cc(-c2cccnc2-c2ccc(F)c(C)c2)cc/c1=N\[H].[H]/N=C/n1cc(-c2cccnc2-c2cccc(C)c2)cc/c1=N\[H]
• InChI: InChI=1S/C19H11FN4.2C19H13FN2S.C19H14N2S.C18H15FN4.C18H16N4/c20-17-4-3-12(6-13(17)8-21)19-16(2-1-5-23-19)14-7-15-9-22-11-18(15)24-10-14;1-12-9-14(4-6-16(12)20)19-15(3-2-8-21-19)13-5-7-18-17(10-13)22-11-23-18;1-12-9-14(4-6-16(12)20)19-15(3-2-8-21-19)13-5-7-17-18(10-13)23-11-22-17;1-13-4-2-5-15(10-13)19-16(6-3-9-20-19)14-7-8-17-18(11-14)22-12-21-17;1-12-9-13(4-6-16(12)19)18-15(3-2-8-22-18)14-5-7-17(21)23(10-14)11-20;1-13-4-2-5-14(10-13)18-16(6-3-9-21-18)15-7-8-17(20)22(11-15)12-19/h1-7,9-10H,11H2;2*2-11H,1H3;2-12H,1H3;2-11,20-21H,1H3;2-12,19-20H,1H3/b;;;;20-11+,21-17+;19-12+,20-17+
• InChIKey: GRWGTJJUDAYPJN-WHCVNGOUSA-N
• XLogP: 27.09
• TPSA: 270.31 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 14
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1852.21
LogP ≤ 5	27.09
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methanimidoylpyridin-2-imine;2-fluoro-5-[3-(7H-pyrrolo[3,4-b]pyridin-3-yl)-2-pyridinyl]benzonitrile;1-methanimidoyl-5-[2-(3-methylphenyl)-3-pyridinyl]pyridin-2-imine;6-[2-(3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole?

The IUPAC name of 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methanimidoylpyridin-2-imine;2-fluoro-5-[3-(7H-pyrrolo[3,4-b]pyridin-3-yl)-2-pyridinyl]benzonitrile;1-methanimidoyl-5-[2-(3-methylphenyl)-3-pyridinyl]pyridin-2-imine;6-[2-(3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole (CID 158347117) is 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methanimidoylpyridin-2-imine;2-fluoro-5-[3-(7H-pyrrolo[3,4-b]pyridin-3-yl)-2-pyridinyl]benzonitrile;1-methanimidoyl-5-[2-(3-methylphenyl)-3-pyridinyl]pyridin-2-imine;6-[2-(3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole.

What is the SMILES notation for 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methanimidoylpyridin-2-imine;2-fluoro-5-[3-(7H-pyrrolo[3,4-b]pyridin-3-yl)-2-pyridinyl]benzonitrile;1-methanimidoyl-5-[2-(3-methylphenyl)-3-pyridinyl]pyridin-2-imine;6-[2-(3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole?

The canonical SMILES for 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methanimidoylpyridin-2-imine;2-fluoro-5-[3-(7H-pyrrolo[3,4-b]pyridin-3-yl)-2-pyridinyl]benzonitrile;1-methanimidoyl-5-[2-(3-methylphenyl)-3-pyridinyl]pyridin-2-imine;6-[2-(3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole is Cc1cc(-c2ncccc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3scnc3c2)ccc1F.Cc1cccc(-c2ncccc2-c2ccc3ncsc3c2)c1.N#Cc1cc(-c2ncccc2-c2cnc3c(c2)C=NC3)ccc1F.[H]/N=C/n1cc(-c2cccnc2-c2ccc(F)c(C)c2)cc/c1=N\[H].[H]/N=C/n1cc(-c2cccnc2-c2cccc(C)c2)cc/c1=N\[H].

What is the InChIKey of 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methanimidoylpyridin-2-imine;2-fluoro-5-[3-(7H-pyrrolo[3,4-b]pyridin-3-yl)-2-pyridinyl]benzonitrile;1-methanimidoyl-5-[2-(3-methylphenyl)-3-pyridinyl]pyridin-2-imine;6-[2-(3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole?

The InChIKey is GRWGTJJUDAYPJN-WHCVNGOUSA-N. The full InChI is InChI=1S/C19H11FN4.2C19H13FN2S.C19H14N2S.C18H15FN4.C18H16N4/c20-17-4-3-12(6-13(17)8-21)19-16(2-1-5-23-19)14-7-15-9-22-11-18(15)24-10-14;1-12-9-14(4-6-16(12)20)19-15(3-2-8-21-19)13-5-7-18-17(10-13)22-11-23-18;1-12-9-14(4-6-16(12)20)19-15(3-2-8-21-19)13-5-7-17-18(10-13)23-11-22-17;1-13-4-2-5-15(10-13)19-16(6-3-9-20-19)14-7-8-17-18(11-14)22-12-21-17;1-12-9-13(4-6-16(12)19)18-15(3-2-8-22-18)14-5-7-17(21)23(10-14)11-20;1-13-4-2-5-14(10-13)18-16(6-3-9-21-18)15-7-8-17(20)22(11-15)12-19/h1-7,9-10H,11H2;2*2-11H,1H3;2-12H,1H3;2-11,20-21H,1H3;2-12,19-20H,1H3/b;;;;20-11+,21-17+;19-12+,20-17+.

What are the key properties of 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methanimidoylpyridin-2-imine;2-fluoro-5-[3-(7H-pyrrolo[3,4-b]pyridin-3-yl)-2-pyridinyl]benzonitrile;1-methanimidoyl-5-[2-(3-methylphenyl)-3-pyridinyl]pyridin-2-imine;6-[2-(3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole?

5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methanimidoylpyridin-2-imine;2-fluoro-5-[3-(7H-pyrrolo[3,4-b]pyridin-3-yl)-2-pyridinyl]benzonitrile;1-methanimidoyl-5-[2-(3-methylphenyl)-3-pyridinyl]pyridin-2-imine;6-[2-(3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole has a molecular weight of 1852.21 g/mol, XLogP of 27.09, 14 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methanimidoylpyridin-2-imine;2-fluoro-5-[3-(7H-pyrrolo[3,4-b]pyridin-3-yl)-2-pyridinyl]benzonitrile;1-methanimidoyl-5-[2-(3-methylphenyl)-3-pyridinyl]pyridin-2-imine;6-[2-(3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole is sourced from PubChem (CID 158347117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).