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

C102H83F3N22O3S5 — CID 164963834

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

2-cyclopropyl-N-[7-(4-methylsulfonyl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(6-morpholin-4-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(6-pyrrolidin-1-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[2-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine (PubChem CID 164963834) has the molecular formula C102H83F3N22O3S5 and a molecular weight of 1882.27 g/mol. Its IUPAC name is 2-cyclopropyl-N-[7-(4-methylsulfonyl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(6-morpholin-4-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(6-pyrrolidin-1-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[2-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine.

Molecular Properties

• Compound Name: 2-cyclopropyl-N-[7-(4-methylsulfonyl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(6-morpholin-4-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(6-pyrrolidin-1-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[2-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine
• PubChem CID: 164963834
• Molecular Formula: C102H83F3N22O3S5
• Molecular Weight: 1882.27 g/mol
• Exact Mass: 1880.56
• IUPAC Name: 2-cyclopropyl-N-[7-(4-methylsulfonyl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(6-morpholin-4-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(6-pyrrolidin-1-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[2-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine
• SMILES: CS(=O)(=O)c1ccncc1-c1cc2ncccc2c(Nc2ccc3nc(C4CC4)sc3c2)n1.FC(F)(F)c1ncccc1-c1cc2ncccc2c(Nc2ccc3nc(C4CC4)sc3c2)n1.c1cnc2cc(-c3ccc(N4CCCC4)nc3)nc(Nc3ccc4nc(C5CC5)sc4c3)c2c1.c1cnc2cc(-c3ccc(N4CCOCC4)nc3)nc(Nc3ccc4nc(C5CC5)sc4c3)c2c1
• InChI: InChI=1S/C27H24N6OS.C27H24N6S.C24H16F3N5S.C24H19N5O2S2/c1-2-20-23(28-9-1)15-22(18-5-8-25(29-16-18)33-10-12-34-13-11-33)31-26(20)30-19-6-7-21-24(14-19)35-27(32-21)17-3-4-17;1-2-13-33(12-1)25-10-7-18(16-29-25)22-15-23-20(4-3-11-28-23)26(31-22)30-19-8-9-21-24(14-19)34-27(32-21)17-5-6-17;25-24(26,27)21-15(3-1-10-29-21)19-12-18-16(4-2-9-28-18)22(31-19)30-14-7-8-17-20(11-14)33-23(32-17)13-5-6-13;1-33(30,31)22-8-10-25-13-17(22)20-12-19-16(3-2-9-26-19)23(28-20)27-15-6-7-18-21(11-15)32-24(29-18)14-4-5-14/h1-2,5-9,14-17H,3-4,10-13H2,(H,30,31);3-4,7-11,14-17H,1-2,5-6,12-13H2,(H,30,31);1-4,7-13H,5-6H2,(H,30,31);2-3,6-14H,4-5H2,1H3,(H,27,28)
• InChIKey: CEWHGBZFBXDBKG-UHFFFAOYSA-N
• XLogP: 24.55
• TPSA: 304.21 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 29
• Rotatable Bonds: 19
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1882.27
LogP ≤ 5	24.55
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

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

The IUPAC name of 2-cyclopropyl-N-[7-(4-methylsulfonyl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(6-morpholin-4-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(6-pyrrolidin-1-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[2-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine (CID 164963834) is 2-cyclopropyl-N-[7-(4-methylsulfonyl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(6-morpholin-4-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(6-pyrrolidin-1-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[2-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine.

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

The canonical SMILES for 2-cyclopropyl-N-[7-(4-methylsulfonyl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(6-morpholin-4-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(6-pyrrolidin-1-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[2-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine is CS(=O)(=O)c1ccncc1-c1cc2ncccc2c(Nc2ccc3nc(C4CC4)sc3c2)n1.FC(F)(F)c1ncccc1-c1cc2ncccc2c(Nc2ccc3nc(C4CC4)sc3c2)n1.c1cnc2cc(-c3ccc(N4CCCC4)nc3)nc(Nc3ccc4nc(C5CC5)sc4c3)c2c1.c1cnc2cc(-c3ccc(N4CCOCC4)nc3)nc(Nc3ccc4nc(C5CC5)sc4c3)c2c1.

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

The InChIKey is CEWHGBZFBXDBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6OS.C27H24N6S.C24H16F3N5S.C24H19N5O2S2/c1-2-20-23(28-9-1)15-22(18-5-8-25(29-16-18)33-10-12-34-13-11-33)31-26(20)30-19-6-7-21-24(14-19)35-27(32-21)17-3-4-17;1-2-13-33(12-1)25-10-7-18(16-29-25)22-15-23-20(4-3-11-28-23)26(31-22)30-19-8-9-21-24(14-19)34-27(32-21)17-5-6-17;25-24(26,27)21-15(3-1-10-29-21)19-12-18-16(4-2-9-28-18)22(31-19)30-14-7-8-17-20(11-14)33-23(32-17)13-5-6-13;1-33(30,31)22-8-10-25-13-17(22)20-12-19-16(3-2-9-26-19)23(28-20)27-15-6-7-18-21(11-15)32-24(29-18)14-4-5-14/h1-2,5-9,14-17H,3-4,10-13H2,(H,30,31);3-4,7-11,14-17H,1-2,5-6,12-13H2,(H,30,31);1-4,7-13H,5-6H2,(H,30,31);2-3,6-14H,4-5H2,1H3,(H,27,28).

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

2-cyclopropyl-N-[7-(4-methylsulfonyl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(6-morpholin-4-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(6-pyrrolidin-1-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[2-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine has a molecular weight of 1882.27 g/mol, XLogP of 24.55, 19 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-N-[7-(4-methylsulfonyl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(6-morpholin-4-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(6-pyrrolidin-1-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[2-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine is sourced from PubChem (CID 164963834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).