N-[5-(1,3-benzothiazol-4-yl)-2-pyridinyl]-2-chlorobenzamide;N-[5-(1,3-benzothiazol-4-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(3-bromo-1-benzothiophen-2-yl)-2-pyridinyl]-2,6-difluorobenzamide;2-chloro-N-[5-(6-chloro-2-methyl-1,3-benzoxazol-5-yl)-2-pyridinyl]benzamide;N-[5-(6-chloro-2-methyl-1,3-benzoxazol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide

C98H59BrCl4F6N14O7S3 — CID 159616408

About N-[5-(1,3-benzothiazol-4-yl)-2-pyridinyl]-2-chlorobenzamide;N-[5-(1,3-benzothiazol-4-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(3-bromo-1-benzothiophen-2-yl)-2-pyridinyl]-2,6-difluorobenzamide;2-chloro-N-[5-(6-chloro-2-methyl-1,3-benzoxazol-5-yl)-2-pyridinyl]benzamide;N-[5-(6-chloro-2-methyl-1,3-benzoxazol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide

N-[5-(1,3-benzothiazol-4-yl)-2-pyridinyl]-2-chlorobenzamide;N-[5-(1,3-benzothiazol-4-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(3-bromo-1-benzothiophen-2-yl)-2-pyridinyl]-2,6-difluorobenzamide;2-chloro-N-[5-(6-chloro-2-methyl-1,3-benzoxazol-5-yl)-2-pyridinyl]benzamide;N-[5-(6-chloro-2-methyl-1,3-benzoxazol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide (PubChem CID 159616408) has the molecular formula C98H59BrCl4F6N14O7S3 and a molecular weight of 1976.55 g/mol. Its IUPAC name is N-[5-(1,3-benzothiazol-4-yl)-2-pyridinyl]-2-chlorobenzamide;N-[5-(1,3-benzothiazol-4-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(3-bromo-1-benzothiophen-2-yl)-2-pyridinyl]-2,6-difluorobenzamide;2-chloro-N-[5-(6-chloro-2-methyl-1,3-benzoxazol-5-yl)-2-pyridinyl]benzamide;N-[5-(6-chloro-2-methyl-1,3-benzoxazol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide.

Molecular Properties

• Compound Name: N-[5-(1,3-benzothiazol-4-yl)-2-pyridinyl]-2-chlorobenzamide;N-[5-(1,3-benzothiazol-4-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(3-bromo-1-benzothiophen-2-yl)-2-pyridinyl]-2,6-difluorobenzamide;2-chloro-N-[5-(6-chloro-2-methyl-1,3-benzoxazol-5-yl)-2-pyridinyl]benzamide;N-[5-(6-chloro-2-methyl-1,3-benzoxazol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide
• PubChem CID: 159616408
• Molecular Formula: C98H59BrCl4F6N14O7S3
• Molecular Weight: 1976.55 g/mol
• Exact Mass: 1972.17
• IUPAC Name: N-[5-(1,3-benzothiazol-4-yl)-2-pyridinyl]-2-chlorobenzamide;N-[5-(1,3-benzothiazol-4-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(3-bromo-1-benzothiophen-2-yl)-2-pyridinyl]-2,6-difluorobenzamide;2-chloro-N-[5-(6-chloro-2-methyl-1,3-benzoxazol-5-yl)-2-pyridinyl]benzamide;N-[5-(6-chloro-2-methyl-1,3-benzoxazol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide
• SMILES: Cc1nc2cc(-c3ccc(NC(=O)c4c(F)cccc4F)nc3)c(Cl)cc2o1.Cc1nc2cc(-c3ccc(NC(=O)c4ccccc4Cl)nc3)c(Cl)cc2o1.O=C(Nc1ccc(-c2cccc3scnc23)cn1)c1c(F)cccc1F.O=C(Nc1ccc(-c2cccc3scnc23)cn1)c1ccccc1Cl.O=C(Nc1ccc(-c2sc3ccccc3c2Br)cn1)c1c(F)cccc1F
• InChI: InChI=1S/C20H11BrF2N2OS.C20H13Cl2N3O2.C20H12ClF2N3O2.C19H12ClN3OS.C19H11F2N3OS/c21-18-12-4-1-2-7-15(12)27-19(18)11-8-9-16(24-10-11)25-20(26)17-13(22)5-3-6-14(17)23;1-11-24-17-8-14(16(22)9-18(17)27-11)12-6-7-19(23-10-12)25-20(26)13-4-2-3-5-15(13)21;1-10-25-16-7-12(13(21)8-17(16)28-10)11-5-6-18(24-9-11)26-20(27)19-14(22)3-2-4-15(19)23;20-15-6-2-1-4-14(15)19(24)23-17-9-8-12(10-21-17)13-5-3-7-16-18(13)22-11-25-16;20-13-4-2-5-14(21)17(13)19(25)24-16-8-7-11(9-22-16)12-3-1-6-15-18(12)23-10-26-15/h1-10H,(H,24,25,26);2-10H,1H3,(H,23,25,26);2-9H,1H3,(H,24,26,27);1-11H,(H,21,23,24);1-10H,(H,22,24,25)
• InChIKey: MNILLCFEZLMLNG-UHFFFAOYSA-N
• XLogP: 27.55
• TPSA: 287.79 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 15
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1976.55
LogP ≤ 5	27.55
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3-benzothiazol-4-yl)-2-pyridinyl]-2-chlorobenzamide;N-[5-(1,3-benzothiazol-4-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(3-bromo-1-benzothiophen-2-yl)-2-pyridinyl]-2,6-difluorobenzamide;2-chloro-N-[5-(6-chloro-2-methyl-1,3-benzoxazol-5-yl)-2-pyridinyl]benzamide;N-[5-(6-chloro-2-methyl-1,3-benzoxazol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide?

The IUPAC name of N-[5-(1,3-benzothiazol-4-yl)-2-pyridinyl]-2-chlorobenzamide;N-[5-(1,3-benzothiazol-4-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(3-bromo-1-benzothiophen-2-yl)-2-pyridinyl]-2,6-difluorobenzamide;2-chloro-N-[5-(6-chloro-2-methyl-1,3-benzoxazol-5-yl)-2-pyridinyl]benzamide;N-[5-(6-chloro-2-methyl-1,3-benzoxazol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide (CID 159616408) is N-[5-(1,3-benzothiazol-4-yl)-2-pyridinyl]-2-chlorobenzamide;N-[5-(1,3-benzothiazol-4-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(3-bromo-1-benzothiophen-2-yl)-2-pyridinyl]-2,6-difluorobenzamide;2-chloro-N-[5-(6-chloro-2-methyl-1,3-benzoxazol-5-yl)-2-pyridinyl]benzamide;N-[5-(6-chloro-2-methyl-1,3-benzoxazol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide.

What is the SMILES notation for N-[5-(1,3-benzothiazol-4-yl)-2-pyridinyl]-2-chlorobenzamide;N-[5-(1,3-benzothiazol-4-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(3-bromo-1-benzothiophen-2-yl)-2-pyridinyl]-2,6-difluorobenzamide;2-chloro-N-[5-(6-chloro-2-methyl-1,3-benzoxazol-5-yl)-2-pyridinyl]benzamide;N-[5-(6-chloro-2-methyl-1,3-benzoxazol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide?

The canonical SMILES for N-[5-(1,3-benzothiazol-4-yl)-2-pyridinyl]-2-chlorobenzamide;N-[5-(1,3-benzothiazol-4-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(3-bromo-1-benzothiophen-2-yl)-2-pyridinyl]-2,6-difluorobenzamide;2-chloro-N-[5-(6-chloro-2-methyl-1,3-benzoxazol-5-yl)-2-pyridinyl]benzamide;N-[5-(6-chloro-2-methyl-1,3-benzoxazol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide is Cc1nc2cc(-c3ccc(NC(=O)c4c(F)cccc4F)nc3)c(Cl)cc2o1.Cc1nc2cc(-c3ccc(NC(=O)c4ccccc4Cl)nc3)c(Cl)cc2o1.O=C(Nc1ccc(-c2cccc3scnc23)cn1)c1c(F)cccc1F.O=C(Nc1ccc(-c2cccc3scnc23)cn1)c1ccccc1Cl.O=C(Nc1ccc(-c2sc3ccccc3c2Br)cn1)c1c(F)cccc1F.

What is the InChIKey of N-[5-(1,3-benzothiazol-4-yl)-2-pyridinyl]-2-chlorobenzamide;N-[5-(1,3-benzothiazol-4-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(3-bromo-1-benzothiophen-2-yl)-2-pyridinyl]-2,6-difluorobenzamide;2-chloro-N-[5-(6-chloro-2-methyl-1,3-benzoxazol-5-yl)-2-pyridinyl]benzamide;N-[5-(6-chloro-2-methyl-1,3-benzoxazol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide?

The InChIKey is MNILLCFEZLMLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11BrF2N2OS.C20H13Cl2N3O2.C20H12ClF2N3O2.C19H12ClN3OS.C19H11F2N3OS/c21-18-12-4-1-2-7-15(12)27-19(18)11-8-9-16(24-10-11)25-20(26)17-13(22)5-3-6-14(17)23;1-11-24-17-8-14(16(22)9-18(17)27-11)12-6-7-19(23-10-12)25-20(26)13-4-2-3-5-15(13)21;1-10-25-16-7-12(13(21)8-17(16)28-10)11-5-6-18(24-9-11)26-20(27)19-14(22)3-2-4-15(19)23;20-15-6-2-1-4-14(15)19(24)23-17-9-8-12(10-21-17)13-5-3-7-16-18(13)22-11-25-16;20-13-4-2-5-14(21)17(13)19(25)24-16-8-7-11(9-22-16)12-3-1-6-15-18(12)23-10-26-15/h1-10H,(H,24,25,26);2-10H,1H3,(H,23,25,26);2-9H,1H3,(H,24,26,27);1-11H,(H,21,23,24);1-10H,(H,22,24,25).

What are the key properties of N-[5-(1,3-benzothiazol-4-yl)-2-pyridinyl]-2-chlorobenzamide;N-[5-(1,3-benzothiazol-4-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(3-bromo-1-benzothiophen-2-yl)-2-pyridinyl]-2,6-difluorobenzamide;2-chloro-N-[5-(6-chloro-2-methyl-1,3-benzoxazol-5-yl)-2-pyridinyl]benzamide;N-[5-(6-chloro-2-methyl-1,3-benzoxazol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide?

N-[5-(1,3-benzothiazol-4-yl)-2-pyridinyl]-2-chlorobenzamide;N-[5-(1,3-benzothiazol-4-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(3-bromo-1-benzothiophen-2-yl)-2-pyridinyl]-2,6-difluorobenzamide;2-chloro-N-[5-(6-chloro-2-methyl-1,3-benzoxazol-5-yl)-2-pyridinyl]benzamide;N-[5-(6-chloro-2-methyl-1,3-benzoxazol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide has a molecular weight of 1976.55 g/mol, XLogP of 27.55, 15 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(1,3-benzothiazol-4-yl)-2-pyridinyl]-2-chlorobenzamide;N-[5-(1,3-benzothiazol-4-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(3-bromo-1-benzothiophen-2-yl)-2-pyridinyl]-2,6-difluorobenzamide;2-chloro-N-[5-(6-chloro-2-methyl-1,3-benzoxazol-5-yl)-2-pyridinyl]benzamide;N-[5-(6-chloro-2-methyl-1,3-benzoxazol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide is sourced from PubChem (CID 159616408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).