2-amino-N-[5-(5-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]-6-fluorobenzamide;N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide;bis(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)

C136H90Cl3F9N24O9S6 — CID 160591716

About 2-amino-N-[5-(5-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]-6-fluorobenzamide;N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide;bis(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)

2-amino-N-[5-(5-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]-6-fluorobenzamide;N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide;bis(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 160591716) has the molecular formula C136H90Cl3F9N24O9S6 and a molecular weight of 2674.12 g/mol. Its IUPAC name is 2-amino-N-[5-(5-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]-6-fluorobenzamide;N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide;bis(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: 2-amino-N-[5-(5-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]-6-fluorobenzamide;N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide;bis(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: 160591716
• Molecular Formula: C136H90Cl3F9N24O9S6
• Molecular Weight: 2674.12 g/mol
• Exact Mass: 2670.46
• IUPAC Name: 2-amino-N-[5-(5-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]-6-fluorobenzamide;N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide;bis(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)c2c(F)cccc2F)nc1.Cc1cc2scnc2cc1-c1ccc(NC(=O)c2ccccc2F)nc1.Cc1cc2scnc2cc1-c1ccc(NC(=O)c2ccccc2F)nc1.Cc1nc2cc(Cl)c(-c3ccc(NC(=O)c4c(F)cccc4F)nc3)cc2o1.Cc1nc2cc(Cl)c(-c3ccc(NC(=O)c4scnc4C)nc3)cc2o1.Nc1cccc(F)c1C(=O)Nc1cnc(-c2cc3scnc3cc2Cl)cn1
• InChI: InChI=1S/C20H12ClF2N3O2.2C20H13F2N3OS.2C20H14FN3OS.C18H11ClFN5OS.C18H13ClN4O2S/c1-10-25-16-8-13(21)12(7-17(16)28-10)11-5-6-18(24-9-11)26-20(27)19-14(22)3-2-4-15(19)23;2*1-11-7-17-16(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;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;1-9-17(26-8-21-9)18(24)23-16-4-3-11(7-20-16)12-5-15-14(6-13(12)19)22-10(2)25-15/h2-9H,1H3,(H,24,26,27);2*2-10H,1H3,(H,23,25,26);2*2-11H,1H3,(H,22,24,25);1-8H,21H2,(H,23,25,26);3-8H,1-2H3,(H,20,23,24)
• InChIKey: RDCNQVIEEDEMMI-UHFFFAOYSA-N
• XLogP: 35.14
• TPSA: 462.24 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 32
• Rotatable Bonds: 21
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2674.12
LogP ≤ 5	35.14
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-(5-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]-6-fluorobenzamide;N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide;bis(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 2-amino-N-[5-(5-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]-6-fluorobenzamide;N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide;bis(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 160591716) is 2-amino-N-[5-(5-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]-6-fluorobenzamide;N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide;bis(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 2-amino-N-[5-(5-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]-6-fluorobenzamide;N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide;bis(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 2-amino-N-[5-(5-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]-6-fluorobenzamide;N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide;bis(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)c2c(F)cccc2F)nc1.Cc1cc2scnc2cc1-c1ccc(NC(=O)c2ccccc2F)nc1.Cc1cc2scnc2cc1-c1ccc(NC(=O)c2ccccc2F)nc1.Cc1nc2cc(Cl)c(-c3ccc(NC(=O)c4c(F)cccc4F)nc3)cc2o1.Cc1nc2cc(Cl)c(-c3ccc(NC(=O)c4scnc4C)nc3)cc2o1.Nc1cccc(F)c1C(=O)Nc1cnc(-c2cc3scnc3cc2Cl)cn1.

What is the InChIKey of 2-amino-N-[5-(5-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]-6-fluorobenzamide;N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide;bis(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 RDCNQVIEEDEMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClF2N3O2.2C20H13F2N3OS.2C20H14FN3OS.C18H11ClFN5OS.C18H13ClN4O2S/c1-10-25-16-8-13(21)12(7-17(16)28-10)11-5-6-18(24-9-11)26-20(27)19-14(22)3-2-4-15(19)23;2*1-11-7-17-16(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;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;1-9-17(26-8-21-9)18(24)23-16-4-3-11(7-20-16)12-5-15-14(6-13(12)19)22-10(2)25-15/h2-9H,1H3,(H,24,26,27);2*2-10H,1H3,(H,23,25,26);2*2-11H,1H3,(H,22,24,25);1-8H,21H2,(H,23,25,26);3-8H,1-2H3,(H,20,23,24).

What are the key properties of 2-amino-N-[5-(5-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]-6-fluorobenzamide;N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide;bis(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)?

2-amino-N-[5-(5-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]-6-fluorobenzamide;N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide;bis(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 2674.12 g/mol, XLogP of 35.14, 21 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[5-(5-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]-6-fluorobenzamide;N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide;bis(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 160591716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).