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

C95H67ClF6N20O2S5 — CID 165086536

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

N-[7-(4-chloro-2-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(5-methylsulfonyl-2-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[4-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[5-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine (PubChem CID 165086536) has the molecular formula C95H67ClF6N20O2S5 and a molecular weight of 1830.49 g/mol. Its IUPAC name is N-[7-(4-chloro-2-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(5-methylsulfonyl-2-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[4-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[5-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine.

Molecular Properties

• Compound Name: N-[7-(4-chloro-2-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(5-methylsulfonyl-2-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[4-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[5-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine
• PubChem CID: 165086536
• Molecular Formula: C95H67ClF6N20O2S5
• Molecular Weight: 1830.49 g/mol
• Exact Mass: 1828.40
• IUPAC Name: N-[7-(4-chloro-2-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(5-methylsulfonyl-2-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[4-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[5-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine
• SMILES: CS(=O)(=O)c1ccc(-c2cc3ncccc3c(Nc3ccc4nc(C5CC5)sc4c3)n2)nc1.Clc1ccnc(-c2cc3ncccc3c(Nc3ccc4nc(C5CC5)sc4c3)n2)c1.FC(F)(F)c1ccc(-c2cc3ncccc3c(Nc3ccc4nc(C5CC5)sc4c3)n2)nc1.FC(F)(F)c1ccnc(-c2cc3ncccc3c(Nc3ccc4nc(C5CC5)sc4c3)n2)c1
• InChI: InChI=1S/2C24H16F3N5S.C24H19N5O2S2.C23H16ClN5S/c25-24(26,27)14-5-7-17(29-12-14)20-11-19-16(2-1-9-28-19)22(31-20)30-15-6-8-18-21(10-15)33-23(32-18)13-3-4-13;25-24(26,27)14-7-9-29-19(10-14)20-12-18-16(2-1-8-28-18)22(31-20)30-15-5-6-17-21(11-15)33-23(32-17)13-3-4-13;1-33(30,31)16-7-9-18(26-13-16)21-12-20-17(3-2-10-25-20)23(28-21)27-15-6-8-19-22(11-15)32-24(29-19)14-4-5-14;24-14-7-9-26-19(10-14)20-12-18-16(2-1-8-25-18)22(28-20)27-15-5-6-17-21(11-15)30-23(29-17)13-3-4-13/h2*1-2,5-13H,3-4H2,(H,30,31);2-3,6-14H,4-5H2,1H3,(H,27,28);1-2,5-13H,3-4H2,(H,27,28)
• InChIKey: VZNHHDFIWBAWIN-UHFFFAOYSA-N
• XLogP: 25.78
• TPSA: 288.50 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 17
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1830.49
LogP ≤ 5	25.78
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

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

The IUPAC name of N-[7-(4-chloro-2-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(5-methylsulfonyl-2-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[4-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[5-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine (CID 165086536) is N-[7-(4-chloro-2-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(5-methylsulfonyl-2-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[4-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[5-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine.

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

The canonical SMILES for N-[7-(4-chloro-2-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(5-methylsulfonyl-2-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[4-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[5-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine is CS(=O)(=O)c1ccc(-c2cc3ncccc3c(Nc3ccc4nc(C5CC5)sc4c3)n2)nc1.Clc1ccnc(-c2cc3ncccc3c(Nc3ccc4nc(C5CC5)sc4c3)n2)c1.FC(F)(F)c1ccc(-c2cc3ncccc3c(Nc3ccc4nc(C5CC5)sc4c3)n2)nc1.FC(F)(F)c1ccnc(-c2cc3ncccc3c(Nc3ccc4nc(C5CC5)sc4c3)n2)c1.

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

The InChIKey is VZNHHDFIWBAWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H16F3N5S.C24H19N5O2S2.C23H16ClN5S/c25-24(26,27)14-5-7-17(29-12-14)20-11-19-16(2-1-9-28-19)22(31-20)30-15-6-8-18-21(10-15)33-23(32-18)13-3-4-13;25-24(26,27)14-7-9-29-19(10-14)20-12-18-16(2-1-8-28-18)22(31-20)30-15-5-6-17-21(11-15)33-23(32-17)13-3-4-13;1-33(30,31)16-7-9-18(26-13-16)21-12-20-17(3-2-10-25-20)23(28-21)27-15-6-8-19-22(11-15)32-24(29-19)14-4-5-14;24-14-7-9-26-19(10-14)20-12-18-16(2-1-8-25-18)22(28-20)27-15-5-6-17-21(11-15)30-23(29-17)13-3-4-13/h2*1-2,5-13H,3-4H2,(H,30,31);2-3,6-14H,4-5H2,1H3,(H,27,28);1-2,5-13H,3-4H2,(H,27,28).

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

N-[7-(4-chloro-2-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(5-methylsulfonyl-2-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[4-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[5-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine has a molecular weight of 1830.49 g/mol, XLogP of 25.78, 17 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-[7-(4-chloro-2-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(5-methylsulfonyl-2-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[4-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[5-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine is sourced from PubChem (CID 165086536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).