N-[7-(5-bromo-2-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;N-[7-(5-chloro-2-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(5-fluoro-2-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyrimidin-5-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-quinolin-8-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine

C118H83BrClFN26S5 — CID 165012933

About N-[7-(5-bromo-2-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;N-[7-(5-chloro-2-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(5-fluoro-2-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyrimidin-5-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-quinolin-8-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine

N-[7-(5-bromo-2-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;N-[7-(5-chloro-2-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(5-fluoro-2-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyrimidin-5-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-quinolin-8-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine (PubChem CID 165012933) has the molecular formula C118H83BrClFN26S5 and a molecular weight of 2159.83 g/mol. Its IUPAC name is N-[7-(5-bromo-2-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;N-[7-(5-chloro-2-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(5-fluoro-2-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyrimidin-5-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-quinolin-8-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine.

Molecular Properties

• Compound Name: N-[7-(5-bromo-2-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;N-[7-(5-chloro-2-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(5-fluoro-2-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyrimidin-5-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-quinolin-8-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine
• PubChem CID: 165012933
• Molecular Formula: C118H83BrClFN26S5
• Molecular Weight: 2159.83 g/mol
• Exact Mass: 2156.48
• IUPAC Name: N-[7-(5-bromo-2-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;N-[7-(5-chloro-2-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(5-fluoro-2-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyrimidin-5-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-quinolin-8-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine
• SMILES: Brc1ccc(-c2cc3ncccc3c(Nc3ccc4nc(C5CC5)sc4c3)n2)nc1.Clc1ccc(-c2cc3ncccc3c(Nc3ccc4nc(C5CC5)sc4c3)n2)nc1.Fc1ccc(-c2cc3ncccc3c(Nc3ccc4nc(C5CC5)sc4c3)n2)nc1.c1cnc2c(-c3cc4ncccc4c(Nc4ccc5nc(C6CC6)sc5c4)n3)cccc2c1.c1cnc2cc(-c3cncnc3)nc(Nc3ccc4nc(C5CC5)sc4c3)c2c1
• InChI: InChI=1S/C27H19N5S.C23H16BrN5S.C23H16ClN5S.C23H16FN5S.C22H16N6S/c1-4-16-5-2-13-29-25(16)19(6-1)23-15-22-20(7-3-12-28-22)26(31-23)30-18-10-11-21-24(14-18)33-27(32-21)17-8-9-17;3*24-14-5-7-17(26-12-14)20-11-19-16(2-1-9-25-19)22(28-20)27-15-6-8-18-21(10-15)30-23(29-18)13-3-4-13;1-2-16-19(25-7-1)9-18(14-10-23-12-24-11-14)27-21(16)26-15-5-6-17-20(8-15)29-22(28-17)13-3-4-13/h1-7,10-15,17H,8-9H2,(H,30,31);3*1-2,5-13H,3-4H2,(H,27,28);1-2,5-13H,3-4H2,(H,26,27)
• InChIKey: JZAHXYHPZFJJPO-UHFFFAOYSA-N
• XLogP: 31.72
• TPSA: 330.84 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 31
• Rotatable Bonds: 20
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2159.83
LogP ≤ 5	31.72
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of N-[7-(5-bromo-2-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;N-[7-(5-chloro-2-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(5-fluoro-2-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyrimidin-5-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-quinolin-8-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine?

The IUPAC name of N-[7-(5-bromo-2-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;N-[7-(5-chloro-2-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(5-fluoro-2-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyrimidin-5-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-quinolin-8-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine (CID 165012933) is N-[7-(5-bromo-2-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;N-[7-(5-chloro-2-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(5-fluoro-2-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyrimidin-5-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-quinolin-8-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine.

What is the SMILES notation for N-[7-(5-bromo-2-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;N-[7-(5-chloro-2-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(5-fluoro-2-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyrimidin-5-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-quinolin-8-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine?

The canonical SMILES for N-[7-(5-bromo-2-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;N-[7-(5-chloro-2-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(5-fluoro-2-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyrimidin-5-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-quinolin-8-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine is Brc1ccc(-c2cc3ncccc3c(Nc3ccc4nc(C5CC5)sc4c3)n2)nc1.Clc1ccc(-c2cc3ncccc3c(Nc3ccc4nc(C5CC5)sc4c3)n2)nc1.Fc1ccc(-c2cc3ncccc3c(Nc3ccc4nc(C5CC5)sc4c3)n2)nc1.c1cnc2c(-c3cc4ncccc4c(Nc4ccc5nc(C6CC6)sc5c4)n3)cccc2c1.c1cnc2cc(-c3cncnc3)nc(Nc3ccc4nc(C5CC5)sc4c3)c2c1.

What is the InChIKey of N-[7-(5-bromo-2-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;N-[7-(5-chloro-2-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(5-fluoro-2-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyrimidin-5-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-quinolin-8-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine?

The InChIKey is JZAHXYHPZFJJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N5S.C23H16BrN5S.C23H16ClN5S.C23H16FN5S.C22H16N6S/c1-4-16-5-2-13-29-25(16)19(6-1)23-15-22-20(7-3-12-28-22)26(31-23)30-18-10-11-21-24(14-18)33-27(32-21)17-8-9-17;3*24-14-5-7-17(26-12-14)20-11-19-16(2-1-9-25-19)22(28-20)27-15-6-8-18-21(10-15)30-23(29-18)13-3-4-13;1-2-16-19(25-7-1)9-18(14-10-23-12-24-11-14)27-21(16)26-15-5-6-17-20(8-15)29-22(28-17)13-3-4-13/h1-7,10-15,17H,8-9H2,(H,30,31);3*1-2,5-13H,3-4H2,(H,27,28);1-2,5-13H,3-4H2,(H,26,27).

What are the key properties of N-[7-(5-bromo-2-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;N-[7-(5-chloro-2-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(5-fluoro-2-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyrimidin-5-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-quinolin-8-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine?

N-[7-(5-bromo-2-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;N-[7-(5-chloro-2-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(5-fluoro-2-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyrimidin-5-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-quinolin-8-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine has a molecular weight of 2159.83 g/mol, XLogP of 31.72, 20 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-[7-(5-bromo-2-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;N-[7-(5-chloro-2-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(5-fluoro-2-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyrimidin-5-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-quinolin-8-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine is sourced from PubChem (CID 165012933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).