N-[5-(5-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(6-chloro-1,3-benzothiazol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide;bis(2-fluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide)

C116H72Cl2F10N20O6S6 — CID 160614419

About N-[5-(5-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(6-chloro-1,3-benzothiazol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide;bis(2-fluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide)

N-[5-(5-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(6-chloro-1,3-benzothiazol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide;bis(2-fluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide) (PubChem CID 160614419) has the molecular formula C116H72Cl2F10N20O6S6 and a molecular weight of 2295.27 g/mol. Its IUPAC name is N-[5-(5-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(6-chloro-1,3-benzothiazol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide;bis(2-fluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide).

Molecular Properties

• Compound Name: N-[5-(5-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(6-chloro-1,3-benzothiazol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide;bis(2-fluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide)
• PubChem CID: 160614419
• Molecular Formula: C116H72Cl2F10N20O6S6
• Molecular Weight: 2295.27 g/mol
• Exact Mass: 2292.35
• IUPAC Name: N-[5-(5-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(6-chloro-1,3-benzothiazol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide;bis(2-fluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide)
• SMILES: Cc1cc2scnc2cc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1.Cc1cc2scnc2cc1-c1ccc(NC(=O)c2ccccc2F)nc1.Cc1cc2scnc2cc1-c1ccc(NC(=O)c2ccccc2F)nc1.Cc1cc2scnc2cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1.O=C(Nc1ccc(-c2cc3ncsc3cc2Cl)cn1)c1c(F)cccc1F.O=C(Nc1cnc(-c2cc3scnc3cc2Cl)cn1)c1c(F)cccc1F
• InChI: InChI=1S/C20H13F2N3OS.2C20H14FN3OS.C19H10ClF2N3OS.C19H12F2N4OS.C18H9ClF2N4OS/c1-11-7-17-16(24-10-27-17)8-13(11)12-5-6-18(23-9-12)25-20(26)19-14(21)3-2-4-15(19)22;2*1-12-8-18-17(23-11-26-18)9-15(12)13-6-7-19(22-10-13)24-20(25)14-4-2-3-5-16(14)21;20-12-7-16-15(24-9-27-16)6-11(12)10-4-5-17(23-8-10)25-19(26)18-13(21)2-1-3-14(18)22;1-10-5-16-14(24-9-27-16)6-11(10)15-7-23-17(8-22-15)25-19(26)18-12(20)3-2-4-13(18)21;19-10-5-13-15(27-8-24-13)4-9(10)14-6-23-16(7-22-14)25-18(26)17-11(20)2-1-3-12(17)21/h2-10H,1H3,(H,23,25,26);2*2-11H,1H3,(H,22,24,25);1-9H,(H,23,25,26);2-9H,1H3,(H,23,25,26);1-8H,(H,23,25,26)
• InChIKey: RFXBIAQESFCCCU-UHFFFAOYSA-N
• XLogP: 30.39
• TPSA: 355.06 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 18
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2295.27
LogP ≤ 5	30.39
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(6-chloro-1,3-benzothiazol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide;bis(2-fluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide)?

The IUPAC name of N-[5-(5-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(6-chloro-1,3-benzothiazol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide;bis(2-fluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide) (CID 160614419) is N-[5-(5-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(6-chloro-1,3-benzothiazol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide;bis(2-fluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide).

What is the SMILES notation for N-[5-(5-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(6-chloro-1,3-benzothiazol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide;bis(2-fluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide)?

The canonical SMILES for N-[5-(5-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(6-chloro-1,3-benzothiazol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide;bis(2-fluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide) is Cc1cc2scnc2cc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1.Cc1cc2scnc2cc1-c1ccc(NC(=O)c2ccccc2F)nc1.Cc1cc2scnc2cc1-c1ccc(NC(=O)c2ccccc2F)nc1.Cc1cc2scnc2cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1.O=C(Nc1ccc(-c2cc3ncsc3cc2Cl)cn1)c1c(F)cccc1F.O=C(Nc1cnc(-c2cc3scnc3cc2Cl)cn1)c1c(F)cccc1F.

What is the InChIKey of N-[5-(5-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(6-chloro-1,3-benzothiazol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide;bis(2-fluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide)?

The InChIKey is RFXBIAQESFCCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N3OS.2C20H14FN3OS.C19H10ClF2N3OS.C19H12F2N4OS.C18H9ClF2N4OS/c1-11-7-17-16(24-10-27-17)8-13(11)12-5-6-18(23-9-12)25-20(26)19-14(21)3-2-4-15(19)22;2*1-12-8-18-17(23-11-26-18)9-15(12)13-6-7-19(22-10-13)24-20(25)14-4-2-3-5-16(14)21;20-12-7-16-15(24-9-27-16)6-11(12)10-4-5-17(23-8-10)25-19(26)18-13(21)2-1-3-14(18)22;1-10-5-16-14(24-9-27-16)6-11(10)15-7-23-17(8-22-15)25-19(26)18-12(20)3-2-4-13(18)21;19-10-5-13-15(27-8-24-13)4-9(10)14-6-23-16(7-22-14)25-18(26)17-11(20)2-1-3-12(17)21/h2-10H,1H3,(H,23,25,26);2*2-11H,1H3,(H,22,24,25);1-9H,(H,23,25,26);2-9H,1H3,(H,23,25,26);1-8H,(H,23,25,26).

What are the key properties of N-[5-(5-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(6-chloro-1,3-benzothiazol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide;bis(2-fluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide)?

N-[5-(5-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(6-chloro-1,3-benzothiazol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide;bis(2-fluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide) has a molecular weight of 2295.27 g/mol, XLogP of 30.39, 18 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(5-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(6-chloro-1,3-benzothiazol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide;bis(2-fluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide) is sourced from PubChem (CID 160614419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).