6-[2-(2,3-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,4-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,5-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(2-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole

C108H63F9N12S6 — CID 158044681

About 6-[2-(2,3-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,4-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,5-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(2-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole

6-[2-(2,3-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,4-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,5-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(2-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole (PubChem CID 158044681) has the molecular formula C108H63F9N12S6 and a molecular weight of 1892.16 g/mol. Its IUPAC name is 6-[2-(2,3-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,4-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,5-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(2-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole.

Molecular Properties

• Compound Name: 6-[2-(2,3-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,4-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,5-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(2-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole
• PubChem CID: 158044681
• Molecular Formula: C108H63F9N12S6
• Molecular Weight: 1892.16 g/mol
• Exact Mass: 1890.35
• IUPAC Name: 6-[2-(2,3-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,4-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,5-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(2-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole
• SMILES: Fc1cc(F)cc(-c2ncccc2-c2ccc3ncsc3c2)c1.Fc1ccc(-c2ncccc2-c2ccc3ncsc3c2)cc1.Fc1ccc(-c2ncccc2-c2ccc3ncsc3c2)cc1F.Fc1cccc(-c2ncccc2-c2ccc3ncsc3c2)c1.Fc1cccc(-c2ncccc2-c2ccc3ncsc3c2)c1F.Fc1ccccc1-c1ncccc1-c1ccc2ncsc2c1
• InChI: InChI=1S/3C18H10F2N2S.3C18H11FN2S/c19-14-5-1-3-13(17(14)20)18-12(4-2-8-21-18)11-6-7-15-16(9-11)23-10-22-15;19-14-5-3-12(8-15(14)20)18-13(2-1-7-21-18)11-4-6-16-17(9-11)23-10-22-16;19-13-6-12(7-14(20)9-13)18-15(2-1-5-21-18)11-3-4-16-17(8-11)23-10-22-16;19-14-4-1-3-13(9-14)18-15(5-2-8-20-18)12-6-7-16-17(10-12)22-11-21-16;19-14-6-3-12(4-7-14)18-15(2-1-9-20-18)13-5-8-16-17(10-13)22-11-21-16;19-15-6-2-1-4-14(15)18-13(5-3-9-20-18)12-7-8-16-17(10-12)22-11-21-16/h3*1-10H;3*1-11H
• InChIKey: FITORKYOTNUBJX-UHFFFAOYSA-N
• XLogP: 31.40
• TPSA: 154.68 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1892.16
LogP ≤ 5	31.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,3-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,4-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,5-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(2-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole?

The IUPAC name of 6-[2-(2,3-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,4-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,5-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(2-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole (CID 158044681) is 6-[2-(2,3-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,4-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,5-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(2-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole.

What is the SMILES notation for 6-[2-(2,3-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,4-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,5-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(2-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole?

The canonical SMILES for 6-[2-(2,3-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,4-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,5-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(2-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole is Fc1cc(F)cc(-c2ncccc2-c2ccc3ncsc3c2)c1.Fc1ccc(-c2ncccc2-c2ccc3ncsc3c2)cc1.Fc1ccc(-c2ncccc2-c2ccc3ncsc3c2)cc1F.Fc1cccc(-c2ncccc2-c2ccc3ncsc3c2)c1.Fc1cccc(-c2ncccc2-c2ccc3ncsc3c2)c1F.Fc1ccccc1-c1ncccc1-c1ccc2ncsc2c1.

What is the InChIKey of 6-[2-(2,3-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,4-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,5-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(2-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole?

The InChIKey is FITORKYOTNUBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/3C18H10F2N2S.3C18H11FN2S/c19-14-5-1-3-13(17(14)20)18-12(4-2-8-21-18)11-6-7-15-16(9-11)23-10-22-15;19-14-5-3-12(8-15(14)20)18-13(2-1-7-21-18)11-4-6-16-17(9-11)23-10-22-16;19-13-6-12(7-14(20)9-13)18-15(2-1-5-21-18)11-3-4-16-17(8-11)23-10-22-16;19-14-4-1-3-13(9-14)18-15(5-2-8-20-18)12-6-7-16-17(10-12)22-11-21-16;19-14-6-3-12(4-7-14)18-15(2-1-9-20-18)13-5-8-16-17(10-13)22-11-21-16;19-15-6-2-1-4-14(15)18-13(5-3-9-20-18)12-7-8-16-17(10-12)22-11-21-16/h3*1-10H;3*1-11H.

What are the key properties of 6-[2-(2,3-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,4-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,5-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(2-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole?

6-[2-(2,3-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,4-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,5-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(2-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole has a molecular weight of 1892.16 g/mol, XLogP of 31.40, 12 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-(2,3-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,4-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,5-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(2-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole is sourced from PubChem (CID 158044681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).