N-[5-(1,3-benzothiazol-5-yl)-6-methyl-2-pyridinyl]-2-chlorobenzamide;N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2-fluorobenzamide;2-chloro-N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]benzamide;2-chloro-N-[5-(5-chloro-1,3-benzothiazol-6-yl)-2-pyridinyl]benzamide;N-[5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2-fluorobenzamide

C114H70Cl7F4N21O7S5 — CID 159687544

About N-[5-(1,3-benzothiazol-5-yl)-6-methyl-2-pyridinyl]-2-chlorobenzamide;N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2-fluorobenzamide;2-chloro-N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]benzamide;2-chloro-N-[5-(5-chloro-1,3-benzothiazol-6-yl)-2-pyridinyl]benzamide;N-[5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2-fluorobenzamide

N-[5-(1,3-benzothiazol-5-yl)-6-methyl-2-pyridinyl]-2-chlorobenzamide;N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2-fluorobenzamide;2-chloro-N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]benzamide;2-chloro-N-[5-(5-chloro-1,3-benzothiazol-6-yl)-2-pyridinyl]benzamide;N-[5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2-fluorobenzamide (PubChem CID 159687544) has the molecular formula C114H70Cl7F4N21O7S5 and a molecular weight of 2330.45 g/mol. Its IUPAC name is N-[5-(1,3-benzothiazol-5-yl)-6-methyl-2-pyridinyl]-2-chlorobenzamide;N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2-fluorobenzamide;2-chloro-N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]benzamide;2-chloro-N-[5-(5-chloro-1,3-benzothiazol-6-yl)-2-pyridinyl]benzamide;N-[5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2-fluorobenzamide.

Molecular Properties

• Compound Name: N-[5-(1,3-benzothiazol-5-yl)-6-methyl-2-pyridinyl]-2-chlorobenzamide;N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2-fluorobenzamide;2-chloro-N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]benzamide;2-chloro-N-[5-(5-chloro-1,3-benzothiazol-6-yl)-2-pyridinyl]benzamide;N-[5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2-fluorobenzamide
• PubChem CID: 159687544
• Molecular Formula: C114H70Cl7F4N21O7S5
• Molecular Weight: 2330.45 g/mol
• Exact Mass: 2325.21
• IUPAC Name: N-[5-(1,3-benzothiazol-5-yl)-6-methyl-2-pyridinyl]-2-chlorobenzamide;N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2-fluorobenzamide;2-chloro-N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]benzamide;2-chloro-N-[5-(5-chloro-1,3-benzothiazol-6-yl)-2-pyridinyl]benzamide;N-[5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2-fluorobenzamide
• SMILES: Cc1nc(NC(=O)c2ccccc2Cl)ccc1-c1ccc2scnc2c1.Cc1nc2cc(C)c(-c3ccc(NC(=O)c4ccccc4F)nc3)cc2o1.O=C(Nc1ccc(-c2cc3nsnc3cc2Cl)cn1)c1c(F)cccc1F.O=C(Nc1ccc(-c2cc3nsnc3cc2Cl)cn1)c1ccccc1Cl.O=C(Nc1ccc(-c2cc3nsnc3cc2Cl)cn1)c1ccccc1F.O=C(Nc1ccc(-c2cc3scnc3cc2Cl)cn1)c1ccccc1Cl
• InChI: InChI=1S/C21H16FN3O2.C20H14ClN3OS.C19H11Cl2N3OS.C18H10Cl2N4OS.C18H9ClF2N4OS.C18H10ClFN4OS/c1-12-9-18-19(27-13(2)24-18)10-16(12)14-7-8-20(23-11-14)25-21(26)15-5-3-4-6-17(15)22;1-12-14(13-6-8-18-17(10-13)22-11-26-18)7-9-19(23-12)24-20(25)15-4-2-3-5-16(15)21;20-14-4-2-1-3-12(14)19(25)24-18-6-5-11(9-22-18)13-7-17-16(8-15(13)21)23-10-26-17;19-13-4-2-1-3-11(13)18(25)22-17-6-5-10(9-21-17)12-7-15-16(8-14(12)20)24-26-23-15;19-11-7-15-14(24-27-25-15)6-10(11)9-4-5-16(22-8-9)23-18(26)17-12(20)2-1-3-13(17)21;19-13-8-16-15(23-26-24-16)7-12(13)10-5-6-17(21-9-10)22-18(25)11-3-1-2-4-14(11)20/h3-11H,1-2H3,(H,23,25,26);2-11H,1H3,(H,23,24,25);1-10H,(H,22,24,25);1-9H,(H,21,22,25);1-8H,(H,22,23,26);1-9H,(H,21,22,25)
• InChIKey: MVZJMIFWRUYZGG-UHFFFAOYSA-N
• XLogP: 31.44
• TPSA: 381.09 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 27
• Rotatable Bonds: 18
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2330.45
LogP ≤ 5	31.44
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3-benzothiazol-5-yl)-6-methyl-2-pyridinyl]-2-chlorobenzamide;N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2-fluorobenzamide;2-chloro-N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]benzamide;2-chloro-N-[5-(5-chloro-1,3-benzothiazol-6-yl)-2-pyridinyl]benzamide;N-[5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2-fluorobenzamide?

The IUPAC name of N-[5-(1,3-benzothiazol-5-yl)-6-methyl-2-pyridinyl]-2-chlorobenzamide;N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2-fluorobenzamide;2-chloro-N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]benzamide;2-chloro-N-[5-(5-chloro-1,3-benzothiazol-6-yl)-2-pyridinyl]benzamide;N-[5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2-fluorobenzamide (CID 159687544) is N-[5-(1,3-benzothiazol-5-yl)-6-methyl-2-pyridinyl]-2-chlorobenzamide;N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2-fluorobenzamide;2-chloro-N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]benzamide;2-chloro-N-[5-(5-chloro-1,3-benzothiazol-6-yl)-2-pyridinyl]benzamide;N-[5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2-fluorobenzamide.

What is the SMILES notation for N-[5-(1,3-benzothiazol-5-yl)-6-methyl-2-pyridinyl]-2-chlorobenzamide;N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2-fluorobenzamide;2-chloro-N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]benzamide;2-chloro-N-[5-(5-chloro-1,3-benzothiazol-6-yl)-2-pyridinyl]benzamide;N-[5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2-fluorobenzamide?

The canonical SMILES for N-[5-(1,3-benzothiazol-5-yl)-6-methyl-2-pyridinyl]-2-chlorobenzamide;N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2-fluorobenzamide;2-chloro-N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]benzamide;2-chloro-N-[5-(5-chloro-1,3-benzothiazol-6-yl)-2-pyridinyl]benzamide;N-[5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2-fluorobenzamide is Cc1nc(NC(=O)c2ccccc2Cl)ccc1-c1ccc2scnc2c1.Cc1nc2cc(C)c(-c3ccc(NC(=O)c4ccccc4F)nc3)cc2o1.O=C(Nc1ccc(-c2cc3nsnc3cc2Cl)cn1)c1c(F)cccc1F.O=C(Nc1ccc(-c2cc3nsnc3cc2Cl)cn1)c1ccccc1Cl.O=C(Nc1ccc(-c2cc3nsnc3cc2Cl)cn1)c1ccccc1F.O=C(Nc1ccc(-c2cc3scnc3cc2Cl)cn1)c1ccccc1Cl.

What is the InChIKey of N-[5-(1,3-benzothiazol-5-yl)-6-methyl-2-pyridinyl]-2-chlorobenzamide;N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2-fluorobenzamide;2-chloro-N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]benzamide;2-chloro-N-[5-(5-chloro-1,3-benzothiazol-6-yl)-2-pyridinyl]benzamide;N-[5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2-fluorobenzamide?

The InChIKey is MVZJMIFWRUYZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O2.C20H14ClN3OS.C19H11Cl2N3OS.C18H10Cl2N4OS.C18H9ClF2N4OS.C18H10ClFN4OS/c1-12-9-18-19(27-13(2)24-18)10-16(12)14-7-8-20(23-11-14)25-21(26)15-5-3-4-6-17(15)22;1-12-14(13-6-8-18-17(10-13)22-11-26-18)7-9-19(23-12)24-20(25)15-4-2-3-5-16(15)21;20-14-4-2-1-3-12(14)19(25)24-18-6-5-11(9-22-18)13-7-17-16(8-15(13)21)23-10-26-17;19-13-4-2-1-3-11(13)18(25)22-17-6-5-10(9-21-17)12-7-15-16(8-14(12)20)24-26-23-15;19-11-7-15-14(24-27-25-15)6-10(11)9-4-5-16(22-8-9)23-18(26)17-12(20)2-1-3-13(17)21;19-13-8-16-15(23-26-24-16)7-12(13)10-5-6-17(21-9-10)22-18(25)11-3-1-2-4-14(11)20/h3-11H,1-2H3,(H,23,25,26);2-11H,1H3,(H,23,24,25);1-10H,(H,22,24,25);1-9H,(H,21,22,25);1-8H,(H,22,23,26);1-9H,(H,21,22,25).

What are the key properties of N-[5-(1,3-benzothiazol-5-yl)-6-methyl-2-pyridinyl]-2-chlorobenzamide;N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2-fluorobenzamide;2-chloro-N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]benzamide;2-chloro-N-[5-(5-chloro-1,3-benzothiazol-6-yl)-2-pyridinyl]benzamide;N-[5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2-fluorobenzamide?

N-[5-(1,3-benzothiazol-5-yl)-6-methyl-2-pyridinyl]-2-chlorobenzamide;N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2-fluorobenzamide;2-chloro-N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]benzamide;2-chloro-N-[5-(5-chloro-1,3-benzothiazol-6-yl)-2-pyridinyl]benzamide;N-[5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2-fluorobenzamide has a molecular weight of 2330.45 g/mol, XLogP of 31.44, 18 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(1,3-benzothiazol-5-yl)-6-methyl-2-pyridinyl]-2-chlorobenzamide;N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2-fluorobenzamide;2-chloro-N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]benzamide;2-chloro-N-[5-(5-chloro-1,3-benzothiazol-6-yl)-2-pyridinyl]benzamide;N-[5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2-fluorobenzamide is sourced from PubChem (CID 159687544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).