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

C116H72Cl6F4N18O9S3 — CID 159111375

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

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-(6-chloro-1,3-benzoxazol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;2-chloro-N-[5-(6-chloro-1,3-benzoxazol-5-yl)-2-pyridinyl]benzamide;2-chloro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide;2-chloro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide (PubChem CID 159111375) has the molecular formula C116H72Cl6F4N18O9S3 and a molecular weight of 2246.88 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-(6-chloro-1,3-benzoxazol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;2-chloro-N-[5-(6-chloro-1,3-benzoxazol-5-yl)-2-pyridinyl]benzamide;2-chloro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide;2-chloro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide.

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-(6-chloro-1,3-benzoxazol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;2-chloro-N-[5-(6-chloro-1,3-benzoxazol-5-yl)-2-pyridinyl]benzamide;2-chloro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide;2-chloro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide
• PubChem CID: 159111375
• Molecular Formula: C116H72Cl6F4N18O9S3
• Molecular Weight: 2246.88 g/mol
• Exact Mass: 2242.30
• 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-(6-chloro-1,3-benzoxazol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;2-chloro-N-[5-(6-chloro-1,3-benzoxazol-5-yl)-2-pyridinyl]benzamide;2-chloro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide;2-chloro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide
• SMILES: Cc1cc2ncoc2cc1-c1ccc(NC(=O)c2ccccc2Cl)nc1.Cc1cc2scnc2cc1-c1ccc(NC(=O)c2ccccc2Cl)nc1.O=C(Nc1ccc(-c2cc3ncoc3cc2Cl)cn1)c1c(F)cccc1F.O=C(Nc1ccc(-c2cc3ncoc3cc2Cl)cn1)c1ccccc1Cl.O=C(Nc1ccc(-c2cccc3scnc23)cn1)c1c(F)cccc1F.O=C(Nc1ccc(-c2cccc3scnc23)cn1)c1ccccc1Cl
• InChI: InChI=1S/C20H14ClN3O2.C20H14ClN3OS.C19H11Cl2N3O2.C19H10ClF2N3O2.C19H12ClN3OS.C19H11F2N3OS/c1-12-8-17-18(26-11-23-17)9-15(12)13-6-7-19(22-10-13)24-20(25)14-4-2-3-5-16(14)21;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;20-14-4-2-1-3-12(14)19(25)24-18-6-5-11(9-22-18)13-7-16-17(8-15(13)21)26-10-23-16;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;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/h2*2-11H,1H3,(H,22,24,25);1-10H,(H,22,24,25);1-9H,(H,23,25,26);1-11H,(H,21,23,24);1-10H,(H,22,24,25)
• InChIKey: KENOUXASPUBDIT-UHFFFAOYSA-N
• XLogP: 31.35
• TPSA: 368.70 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 18
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2246.88
LogP ≤ 5	31.35
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

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

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-(6-chloro-1,3-benzoxazol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;2-chloro-N-[5-(6-chloro-1,3-benzoxazol-5-yl)-2-pyridinyl]benzamide;2-chloro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide;2-chloro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide (CID 159111375) 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-(6-chloro-1,3-benzoxazol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;2-chloro-N-[5-(6-chloro-1,3-benzoxazol-5-yl)-2-pyridinyl]benzamide;2-chloro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide;2-chloro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide.

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

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-(6-chloro-1,3-benzoxazol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;2-chloro-N-[5-(6-chloro-1,3-benzoxazol-5-yl)-2-pyridinyl]benzamide;2-chloro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide;2-chloro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide is Cc1cc2ncoc2cc1-c1ccc(NC(=O)c2ccccc2Cl)nc1.Cc1cc2scnc2cc1-c1ccc(NC(=O)c2ccccc2Cl)nc1.O=C(Nc1ccc(-c2cc3ncoc3cc2Cl)cn1)c1c(F)cccc1F.O=C(Nc1ccc(-c2cc3ncoc3cc2Cl)cn1)c1ccccc1Cl.O=C(Nc1ccc(-c2cccc3scnc23)cn1)c1c(F)cccc1F.O=C(Nc1ccc(-c2cccc3scnc23)cn1)c1ccccc1Cl.

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

The InChIKey is KENOUXASPUBDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O2.C20H14ClN3OS.C19H11Cl2N3O2.C19H10ClF2N3O2.C19H12ClN3OS.C19H11F2N3OS/c1-12-8-17-18(26-11-23-17)9-15(12)13-6-7-19(22-10-13)24-20(25)14-4-2-3-5-16(14)21;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;20-14-4-2-1-3-12(14)19(25)24-18-6-5-11(9-22-18)13-7-16-17(8-15(13)21)26-10-23-16;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;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/h2*2-11H,1H3,(H,22,24,25);1-10H,(H,22,24,25);1-9H,(H,23,25,26);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-(6-chloro-1,3-benzoxazol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;2-chloro-N-[5-(6-chloro-1,3-benzoxazol-5-yl)-2-pyridinyl]benzamide;2-chloro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide;2-chloro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide?

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-(6-chloro-1,3-benzoxazol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;2-chloro-N-[5-(6-chloro-1,3-benzoxazol-5-yl)-2-pyridinyl]benzamide;2-chloro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide;2-chloro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide has a molecular weight of 2246.88 g/mol, XLogP of 31.35, 18 rotatable bonds, 6 hydrogen bond donors, and 24 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-(6-chloro-1,3-benzoxazol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;2-chloro-N-[5-(6-chloro-1,3-benzoxazol-5-yl)-2-pyridinyl]benzamide;2-chloro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide;2-chloro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 159111375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).