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

C127H101F6N27O2S6 — CID 165040815

About 2-cyclopropyl-N-[7-(4-methylsulfonyl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(6-piperidin-1-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-(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-piperidin-1-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-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine (PubChem CID 165040815) has the molecular formula C127H101F6N27O2S6 and a molecular weight of 2343.78 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-piperidin-1-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-(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-piperidin-1-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-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine
• PubChem CID: 165040815
• Molecular Formula: C127H101F6N27O2S6
• Molecular Weight: 2343.78 g/mol
• Exact Mass: 2341.69
• 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-piperidin-1-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-(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)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(N4CCCCC4)nc3)nc(Nc3ccc4nc(C5CC5)sc4c3)c2c1
• InChI: InChI=1S/C28H26N6S.C27H24N6S.2C24H16F3N5S.C24H19N5O2S2/c1-2-13-34(14-3-1)26-11-8-19(17-30-26)23-16-24-21(5-4-12-29-24)27(32-23)31-20-9-10-22-25(15-20)35-28(33-22)18-6-7-18;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;25-24(26,27)17-7-9-28-12-16(17)20-11-19-15(2-1-8-29-19)22(31-20)30-14-5-6-18-21(10-14)33-23(32-18)13-3-4-13;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/h4-5,8-12,15-18H,1-3,6-7,13-14H2,(H,31,32);3-4,7-11,14-17H,1-2,5-6,12-13H2,(H,30,31);1-4,7-13H,5-6H2,(H,30,31);1-2,5-13H,3-4H2,(H,30,31);2-3,6-14H,4-5H2,1H3,(H,27,28)
• InChIKey: OCFHNZLDNLKBFT-UHFFFAOYSA-N
• XLogP: 32.64
• TPSA: 358.57 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 34
• Rotatable Bonds: 23
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2343.78
LogP ≤ 5	32.64
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	34

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-piperidin-1-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-(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-piperidin-1-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-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine (CID 165040815) is 2-cyclopropyl-N-[7-(4-methylsulfonyl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(6-piperidin-1-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-(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-piperidin-1-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-(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-piperidin-1-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-(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)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(N4CCCCC4)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-piperidin-1-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-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine?

The InChIKey is OCFHNZLDNLKBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N6S.C27H24N6S.2C24H16F3N5S.C24H19N5O2S2/c1-2-13-34(14-3-1)26-11-8-19(17-30-26)23-16-24-21(5-4-12-29-24)27(32-23)31-20-9-10-22-25(15-20)35-28(33-22)18-6-7-18;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;25-24(26,27)17-7-9-28-12-16(17)20-11-19-15(2-1-8-29-19)22(31-20)30-14-5-6-18-21(10-14)33-23(32-18)13-3-4-13;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/h4-5,8-12,15-18H,1-3,6-7,13-14H2,(H,31,32);3-4,7-11,14-17H,1-2,5-6,12-13H2,(H,30,31);1-4,7-13H,5-6H2,(H,30,31);1-2,5-13H,3-4H2,(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-piperidin-1-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-(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-piperidin-1-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-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine has a molecular weight of 2343.78 g/mol, XLogP of 32.64, 23 rotatable bonds, 5 hydrogen bond donors, and 34 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-piperidin-1-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-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine is sourced from PubChem (CID 165040815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).