1-[4-[5-[(2-cyclopropyl-1,3-benzothiazol-6-yl)amino]-1,6-naphthyridin-7-yl]piperidin-1-yl]ethanone;2-cyclopropyl-N-[7-(1-methylpiperidin-4-yl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(4-methylsulfonylpiperazin-1-yl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(1-methylsulfonylpiperidin-4-yl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(1-propan-2-ylpiperidin-4-yl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine

C122H128N26O5S7 — CID 165048728

About 1-[4-[5-[(2-cyclopropyl-1,3-benzothiazol-6-yl)amino]-1,6-naphthyridin-7-yl]piperidin-1-yl]ethanone;2-cyclopropyl-N-[7-(1-methylpiperidin-4-yl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(4-methylsulfonylpiperazin-1-yl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(1-methylsulfonylpiperidin-4-yl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(1-propan-2-ylpiperidin-4-yl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine

1-[4-[5-[(2-cyclopropyl-1,3-benzothiazol-6-yl)amino]-1,6-naphthyridin-7-yl]piperidin-1-yl]ethanone;2-cyclopropyl-N-[7-(1-methylpiperidin-4-yl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(4-methylsulfonylpiperazin-1-yl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(1-methylsulfonylpiperidin-4-yl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(1-propan-2-ylpiperidin-4-yl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine (PubChem CID 165048728) has the molecular formula C122H128N26O5S7 and a molecular weight of 2263.01 g/mol. Its IUPAC name is 1-[4-[5-[(2-cyclopropyl-1,3-benzothiazol-6-yl)amino]-1,6-naphthyridin-7-yl]piperidin-1-yl]ethanone;2-cyclopropyl-N-[7-(1-methylpiperidin-4-yl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(4-methylsulfonylpiperazin-1-yl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(1-methylsulfonylpiperidin-4-yl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(1-propan-2-ylpiperidin-4-yl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine.

Molecular Properties

• Compound Name: 1-[4-[5-[(2-cyclopropyl-1,3-benzothiazol-6-yl)amino]-1,6-naphthyridin-7-yl]piperidin-1-yl]ethanone;2-cyclopropyl-N-[7-(1-methylpiperidin-4-yl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(4-methylsulfonylpiperazin-1-yl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(1-methylsulfonylpiperidin-4-yl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(1-propan-2-ylpiperidin-4-yl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine
• PubChem CID: 165048728
• Molecular Formula: C122H128N26O5S7
• Molecular Weight: 2263.01 g/mol
• Exact Mass: 2260.86
• IUPAC Name: 1-[4-[5-[(2-cyclopropyl-1,3-benzothiazol-6-yl)amino]-1,6-naphthyridin-7-yl]piperidin-1-yl]ethanone;2-cyclopropyl-N-[7-(1-methylpiperidin-4-yl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(4-methylsulfonylpiperazin-1-yl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(1-methylsulfonylpiperidin-4-yl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(1-propan-2-ylpiperidin-4-yl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine
• SMILES: CC(=O)N1CCC(c2cc3ncccc3c(Nc3ccc4nc(C5CC5)sc4c3)n2)CC1.CC(C)N1CCC(c2cc3ncccc3c(Nc3ccc4nc(C5CC5)sc4c3)n2)CC1.CN1CCC(c2cc3ncccc3c(Nc3ccc4nc(C5CC5)sc4c3)n2)CC1.CS(=O)(=O)N1CCC(c2cc3ncccc3c(Nc3ccc4nc(C5CC5)sc4c3)n2)CC1.CS(=O)(=O)N1CCN(c2cc3ncccc3c(Nc3ccc4nc(C5CC5)sc4c3)n2)CC1
• InChI: InChI=1S/C26H29N5S.C25H25N5OS.C24H25N5O2S2.C24H25N5S.C23H24N6O2S2/c1-16(2)31-12-9-17(10-13-31)22-15-23-20(4-3-11-27-23)25(29-22)28-19-7-8-21-24(14-19)32-26(30-21)18-5-6-18;1-15(31)30-11-8-16(9-12-30)21-14-22-19(3-2-10-26-22)24(28-21)27-18-6-7-20-23(13-18)32-25(29-20)17-4-5-17;1-33(30,31)29-11-8-15(9-12-29)20-14-21-18(3-2-10-25-21)23(27-20)26-17-6-7-19-22(13-17)32-24(28-19)16-4-5-16;1-29-11-8-15(9-12-29)20-14-21-18(3-2-10-25-21)23(27-20)26-17-6-7-19-22(13-17)30-24(28-19)16-4-5-16;1-33(30,31)29-11-9-28(10-12-29)21-14-19-17(3-2-8-24-19)22(27-21)25-16-6-7-18-20(13-16)32-23(26-18)15-4-5-15/h3-4,7-8,11,14-18H,5-6,9-10,12-13H2,1-2H3,(H,28,29);2-3,6-7,10,13-14,16-17H,4-5,8-9,11-12H2,1H3,(H,27,28);2-3,6-7,10,13-16H,4-5,8-9,11-12H2,1H3,(H,26,27);2-3,6-7,10,13-16H,4-5,8-9,11-12H2,1H3,(H,26,27);2-3,6-8,13-15H,4-5,9-12H2,1H3,(H,25,27)
• InChIKey: PHYHZRNOMHQCMG-UHFFFAOYSA-N
• XLogP: 26.65
• TPSA: 358.29 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 33
• Rotatable Bonds: 23
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2263.01
LogP ≤ 5	26.65
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[(2-cyclopropyl-1,3-benzothiazol-6-yl)amino]-1,6-naphthyridin-7-yl]piperidin-1-yl]ethanone;2-cyclopropyl-N-[7-(1-methylpiperidin-4-yl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(4-methylsulfonylpiperazin-1-yl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(1-methylsulfonylpiperidin-4-yl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(1-propan-2-ylpiperidin-4-yl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine?

The IUPAC name of 1-[4-[5-[(2-cyclopropyl-1,3-benzothiazol-6-yl)amino]-1,6-naphthyridin-7-yl]piperidin-1-yl]ethanone;2-cyclopropyl-N-[7-(1-methylpiperidin-4-yl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(4-methylsulfonylpiperazin-1-yl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(1-methylsulfonylpiperidin-4-yl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(1-propan-2-ylpiperidin-4-yl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine (CID 165048728) is 1-[4-[5-[(2-cyclopropyl-1,3-benzothiazol-6-yl)amino]-1,6-naphthyridin-7-yl]piperidin-1-yl]ethanone;2-cyclopropyl-N-[7-(1-methylpiperidin-4-yl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(4-methylsulfonylpiperazin-1-yl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(1-methylsulfonylpiperidin-4-yl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(1-propan-2-ylpiperidin-4-yl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine.

What is the SMILES notation for 1-[4-[5-[(2-cyclopropyl-1,3-benzothiazol-6-yl)amino]-1,6-naphthyridin-7-yl]piperidin-1-yl]ethanone;2-cyclopropyl-N-[7-(1-methylpiperidin-4-yl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(4-methylsulfonylpiperazin-1-yl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(1-methylsulfonylpiperidin-4-yl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(1-propan-2-ylpiperidin-4-yl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine?

The canonical SMILES for 1-[4-[5-[(2-cyclopropyl-1,3-benzothiazol-6-yl)amino]-1,6-naphthyridin-7-yl]piperidin-1-yl]ethanone;2-cyclopropyl-N-[7-(1-methylpiperidin-4-yl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(4-methylsulfonylpiperazin-1-yl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(1-methylsulfonylpiperidin-4-yl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(1-propan-2-ylpiperidin-4-yl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine is CC(=O)N1CCC(c2cc3ncccc3c(Nc3ccc4nc(C5CC5)sc4c3)n2)CC1.CC(C)N1CCC(c2cc3ncccc3c(Nc3ccc4nc(C5CC5)sc4c3)n2)CC1.CN1CCC(c2cc3ncccc3c(Nc3ccc4nc(C5CC5)sc4c3)n2)CC1.CS(=O)(=O)N1CCC(c2cc3ncccc3c(Nc3ccc4nc(C5CC5)sc4c3)n2)CC1.CS(=O)(=O)N1CCN(c2cc3ncccc3c(Nc3ccc4nc(C5CC5)sc4c3)n2)CC1.

What is the InChIKey of 1-[4-[5-[(2-cyclopropyl-1,3-benzothiazol-6-yl)amino]-1,6-naphthyridin-7-yl]piperidin-1-yl]ethanone;2-cyclopropyl-N-[7-(1-methylpiperidin-4-yl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(4-methylsulfonylpiperazin-1-yl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(1-methylsulfonylpiperidin-4-yl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(1-propan-2-ylpiperidin-4-yl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine?

The InChIKey is PHYHZRNOMHQCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5S.C25H25N5OS.C24H25N5O2S2.C24H25N5S.C23H24N6O2S2/c1-16(2)31-12-9-17(10-13-31)22-15-23-20(4-3-11-27-23)25(29-22)28-19-7-8-21-24(14-19)32-26(30-21)18-5-6-18;1-15(31)30-11-8-16(9-12-30)21-14-22-19(3-2-10-26-22)24(28-21)27-18-6-7-20-23(13-18)32-25(29-20)17-4-5-17;1-33(30,31)29-11-8-15(9-12-29)20-14-21-18(3-2-10-25-21)23(27-20)26-17-6-7-19-22(13-17)32-24(28-19)16-4-5-16;1-29-11-8-15(9-12-29)20-14-21-18(3-2-10-25-21)23(27-20)26-17-6-7-19-22(13-17)30-24(28-19)16-4-5-16;1-33(30,31)29-11-9-28(10-12-29)21-14-19-17(3-2-8-24-19)22(27-21)25-16-6-7-18-20(13-16)32-23(26-18)15-4-5-15/h3-4,7-8,11,14-18H,5-6,9-10,12-13H2,1-2H3,(H,28,29);2-3,6-7,10,13-14,16-17H,4-5,8-9,11-12H2,1H3,(H,27,28);2-3,6-7,10,13-16H,4-5,8-9,11-12H2,1H3,(H,26,27);2-3,6-7,10,13-16H,4-5,8-9,11-12H2,1H3,(H,26,27);2-3,6-8,13-15H,4-5,9-12H2,1H3,(H,25,27).

What are the key properties of 1-[4-[5-[(2-cyclopropyl-1,3-benzothiazol-6-yl)amino]-1,6-naphthyridin-7-yl]piperidin-1-yl]ethanone;2-cyclopropyl-N-[7-(1-methylpiperidin-4-yl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(4-methylsulfonylpiperazin-1-yl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(1-methylsulfonylpiperidin-4-yl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(1-propan-2-ylpiperidin-4-yl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine?

1-[4-[5-[(2-cyclopropyl-1,3-benzothiazol-6-yl)amino]-1,6-naphthyridin-7-yl]piperidin-1-yl]ethanone;2-cyclopropyl-N-[7-(1-methylpiperidin-4-yl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(4-methylsulfonylpiperazin-1-yl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(1-methylsulfonylpiperidin-4-yl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(1-propan-2-ylpiperidin-4-yl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine has a molecular weight of 2263.01 g/mol, XLogP of 26.65, 23 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[5-[(2-cyclopropyl-1,3-benzothiazol-6-yl)amino]-1,6-naphthyridin-7-yl]piperidin-1-yl]ethanone;2-cyclopropyl-N-[7-(1-methylpiperidin-4-yl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(4-methylsulfonylpiperazin-1-yl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(1-methylsulfonylpiperidin-4-yl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(1-propan-2-ylpiperidin-4-yl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine is sourced from PubChem (CID 165048728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).