N-[7-(5-bromo-3-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;N-[7-(4-chloro-3-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;N-[7-(5-chloro-3-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(5-fluoro-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[5-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine

C116H80BrCl2F4N25S5 — CID 165046703

About N-[7-(5-bromo-3-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;N-[7-(4-chloro-3-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;N-[7-(5-chloro-3-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(5-fluoro-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[5-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine

N-[7-(5-bromo-3-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;N-[7-(4-chloro-3-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;N-[7-(5-chloro-3-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(5-fluoro-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[5-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine (PubChem CID 165046703) has the molecular formula C116H80BrCl2F4N25S5 and a molecular weight of 2211.23 g/mol. Its IUPAC name is N-[7-(5-bromo-3-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;N-[7-(4-chloro-3-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;N-[7-(5-chloro-3-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(5-fluoro-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[5-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine.

Molecular Properties

• Compound Name: N-[7-(5-bromo-3-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;N-[7-(4-chloro-3-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;N-[7-(5-chloro-3-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(5-fluoro-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[5-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine
• PubChem CID: 165046703
• Molecular Formula: C116H80BrCl2F4N25S5
• Molecular Weight: 2211.23 g/mol
• Exact Mass: 2207.41
• IUPAC Name: N-[7-(5-bromo-3-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;N-[7-(4-chloro-3-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;N-[7-(5-chloro-3-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(5-fluoro-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[5-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine
• SMILES: Brc1cncc(-c2cc3ncccc3c(Nc3ccc4nc(C5CC5)sc4c3)n2)c1.Clc1ccncc1-c1cc2ncccc2c(Nc2ccc3nc(C4CC4)sc3c2)n1.Clc1cncc(-c2cc3ncccc3c(Nc3ccc4nc(C5CC5)sc4c3)n2)c1.FC(F)(F)c1cncc(-c2cc3ncccc3c(Nc3ccc4nc(C5CC5)sc4c3)n2)c1.Fc1cncc(-c2cc3ncccc3c(Nc3ccc4nc(C5CC5)sc4c3)n2)c1
• InChI: InChI=1S/C24H16F3N5S.C23H16BrN5S.2C23H16ClN5S.C23H16FN5S/c25-24(26,27)15-8-14(11-28-12-15)19-10-20-17(2-1-7-29-20)22(31-19)30-16-5-6-18-21(9-16)33-23(32-18)13-3-4-13;24-15-8-14(11-25-12-15)19-10-20-17(2-1-7-26-20)22(28-19)27-16-5-6-18-21(9-16)30-23(29-18)13-3-4-13;24-17-7-9-25-12-16(17)20-11-19-15(2-1-8-26-19)22(28-20)27-14-5-6-18-21(10-14)30-23(29-18)13-3-4-13;2*24-15-8-14(11-25-12-15)19-10-20-17(2-1-7-26-20)22(28-19)27-16-5-6-18-21(9-16)30-23(29-18)13-3-4-13/h1-2,5-13H,3-4H2,(H,30,31);4*1-2,5-13H,3-4H2,(H,27,28)
• InChIKey: PAEFZTHVAFPEBU-UHFFFAOYSA-N
• XLogP: 32.84
• TPSA: 317.95 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 20
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2211.23
LogP ≤ 5	32.84
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of N-[7-(5-bromo-3-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;N-[7-(4-chloro-3-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;N-[7-(5-chloro-3-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(5-fluoro-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[5-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine?

The IUPAC name of N-[7-(5-bromo-3-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;N-[7-(4-chloro-3-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;N-[7-(5-chloro-3-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(5-fluoro-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[5-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine (CID 165046703) is N-[7-(5-bromo-3-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;N-[7-(4-chloro-3-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;N-[7-(5-chloro-3-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(5-fluoro-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[5-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine.

What is the SMILES notation for N-[7-(5-bromo-3-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;N-[7-(4-chloro-3-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;N-[7-(5-chloro-3-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(5-fluoro-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[5-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine?

The canonical SMILES for N-[7-(5-bromo-3-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;N-[7-(4-chloro-3-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;N-[7-(5-chloro-3-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(5-fluoro-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[5-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine is Brc1cncc(-c2cc3ncccc3c(Nc3ccc4nc(C5CC5)sc4c3)n2)c1.Clc1ccncc1-c1cc2ncccc2c(Nc2ccc3nc(C4CC4)sc3c2)n1.Clc1cncc(-c2cc3ncccc3c(Nc3ccc4nc(C5CC5)sc4c3)n2)c1.FC(F)(F)c1cncc(-c2cc3ncccc3c(Nc3ccc4nc(C5CC5)sc4c3)n2)c1.Fc1cncc(-c2cc3ncccc3c(Nc3ccc4nc(C5CC5)sc4c3)n2)c1.

What is the InChIKey of N-[7-(5-bromo-3-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;N-[7-(4-chloro-3-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;N-[7-(5-chloro-3-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(5-fluoro-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[5-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine?

The InChIKey is PAEFZTHVAFPEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F3N5S.C23H16BrN5S.2C23H16ClN5S.C23H16FN5S/c25-24(26,27)15-8-14(11-28-12-15)19-10-20-17(2-1-7-29-20)22(31-19)30-16-5-6-18-21(9-16)33-23(32-18)13-3-4-13;24-15-8-14(11-25-12-15)19-10-20-17(2-1-7-26-20)22(28-19)27-16-5-6-18-21(9-16)30-23(29-18)13-3-4-13;24-17-7-9-25-12-16(17)20-11-19-15(2-1-8-26-19)22(28-20)27-14-5-6-18-21(10-14)30-23(29-18)13-3-4-13;2*24-15-8-14(11-25-12-15)19-10-20-17(2-1-7-26-20)22(28-19)27-16-5-6-18-21(9-16)30-23(29-18)13-3-4-13/h1-2,5-13H,3-4H2,(H,30,31);4*1-2,5-13H,3-4H2,(H,27,28).

What are the key properties of N-[7-(5-bromo-3-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;N-[7-(4-chloro-3-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;N-[7-(5-chloro-3-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(5-fluoro-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[5-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine?

N-[7-(5-bromo-3-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;N-[7-(4-chloro-3-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;N-[7-(5-chloro-3-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(5-fluoro-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[5-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine has a molecular weight of 2211.23 g/mol, XLogP of 32.84, 20 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-[7-(5-bromo-3-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;N-[7-(4-chloro-3-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;N-[7-(5-chloro-3-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(5-fluoro-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[5-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine is sourced from PubChem (CID 165046703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).