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

C119H89F6N25O4S7 — CID 165082512

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

2-cyclopropyl-N-[7-(3-methylsulfonyl-2-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(4-methylsulfonyl-2-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyridin-2-yl-1,6-naphthyridin-5-yl)-2,3-dihydro-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[3-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[6-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine (PubChem CID 165082512) has the molecular formula C119H89F6N25O4S7 and a molecular weight of 2271.65 g/mol. Its IUPAC name is 2-cyclopropyl-N-[7-(3-methylsulfonyl-2-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(4-methylsulfonyl-2-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyridin-2-yl-1,6-naphthyridin-5-yl)-2,3-dihydro-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[3-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[6-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine.

Molecular Properties

• Compound Name: 2-cyclopropyl-N-[7-(3-methylsulfonyl-2-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(4-methylsulfonyl-2-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyridin-2-yl-1,6-naphthyridin-5-yl)-2,3-dihydro-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[3-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[6-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine
• PubChem CID: 165082512
• Molecular Formula: C119H89F6N25O4S7
• Molecular Weight: 2271.65 g/mol
• Exact Mass: 2269.55
• IUPAC Name: 2-cyclopropyl-N-[7-(3-methylsulfonyl-2-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(4-methylsulfonyl-2-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyridin-2-yl-1,6-naphthyridin-5-yl)-2,3-dihydro-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[3-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[6-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine
• SMILES: CS(=O)(=O)c1cccnc1-c1cc2ncccc2c(Nc2ccc3nc(C4CC4)sc3c2)n1.CS(=O)(=O)c1ccnc(-c2cc3ncccc3c(Nc3ccc4nc(C5CC5)sc4c3)n2)c1.FC(F)(F)c1ccc(-c2cc3ncccc3c(Nc3ccc4nc(C5CC5)sc4c3)n2)cn1.FC(F)(F)c1cccnc1-c1cc2ncccc2c(Nc2ccc3nc(C4CC4)sc3c2)n1.c1ccc(-c2cc3ncccc3c(Nc3ccc4c(c3)SC(C3CC3)N4)n2)nc1
• InChI: InChI=1S/2C24H16F3N5S.2C24H19N5O2S2.C23H19N5S/c25-24(26,27)16-4-2-10-29-21(16)19-12-18-15(3-1-9-28-18)22(31-19)30-14-7-8-17-20(11-14)33-23(32-17)13-5-6-13;25-24(26,27)21-8-5-14(12-29-21)18-11-19-16(2-1-9-28-19)22(31-18)30-15-6-7-17-20(10-15)33-23(32-17)13-3-4-13;1-33(30,31)21-5-3-11-26-22(21)19-13-18-16(4-2-10-25-18)23(28-19)27-15-8-9-17-20(12-15)32-24(29-17)14-6-7-14;1-33(30,31)16-8-10-26-20(12-16)21-13-19-17(3-2-9-25-19)23(28-21)27-15-6-7-18-22(11-15)32-24(29-18)14-4-5-14;1-2-10-24-17(5-1)20-13-19-16(4-3-11-25-19)22(27-20)26-15-8-9-18-21(12-15)29-23(28-18)14-6-7-14/h1-4,7-13H,5-6H2,(H,30,31);1-2,5-13H,3-4H2,(H,30,31);2-5,8-14H,6-7H2,1H3,(H,27,28);2-3,6-14H,4-5H2,1H3,(H,27,28);1-5,8-14,23,28H,6-7H2,(H,26,27)
• InChIKey: VIWWAMBNPBDUSD-UHFFFAOYSA-N
• XLogP: 30.22
• TPSA: 385.37 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 34
• Rotatable Bonds: 22
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2271.65
LogP ≤ 5	30.22
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

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

The IUPAC name of 2-cyclopropyl-N-[7-(3-methylsulfonyl-2-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(4-methylsulfonyl-2-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyridin-2-yl-1,6-naphthyridin-5-yl)-2,3-dihydro-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[3-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[6-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine (CID 165082512) is 2-cyclopropyl-N-[7-(3-methylsulfonyl-2-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(4-methylsulfonyl-2-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyridin-2-yl-1,6-naphthyridin-5-yl)-2,3-dihydro-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[3-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[6-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine.

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

The canonical SMILES for 2-cyclopropyl-N-[7-(3-methylsulfonyl-2-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(4-methylsulfonyl-2-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyridin-2-yl-1,6-naphthyridin-5-yl)-2,3-dihydro-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[3-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[6-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine is CS(=O)(=O)c1cccnc1-c1cc2ncccc2c(Nc2ccc3nc(C4CC4)sc3c2)n1.CS(=O)(=O)c1ccnc(-c2cc3ncccc3c(Nc3ccc4nc(C5CC5)sc4c3)n2)c1.FC(F)(F)c1ccc(-c2cc3ncccc3c(Nc3ccc4nc(C5CC5)sc4c3)n2)cn1.FC(F)(F)c1cccnc1-c1cc2ncccc2c(Nc2ccc3nc(C4CC4)sc3c2)n1.c1ccc(-c2cc3ncccc3c(Nc3ccc4c(c3)SC(C3CC3)N4)n2)nc1.

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

The InChIKey is VIWWAMBNPBDUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H16F3N5S.2C24H19N5O2S2.C23H19N5S/c25-24(26,27)16-4-2-10-29-21(16)19-12-18-15(3-1-9-28-18)22(31-19)30-14-7-8-17-20(11-14)33-23(32-17)13-5-6-13;25-24(26,27)21-8-5-14(12-29-21)18-11-19-16(2-1-9-28-19)22(31-18)30-15-6-7-17-20(10-15)33-23(32-17)13-3-4-13;1-33(30,31)21-5-3-11-26-22(21)19-13-18-16(4-2-10-25-18)23(28-19)27-15-8-9-17-20(12-15)32-24(29-17)14-6-7-14;1-33(30,31)16-8-10-26-20(12-16)21-13-19-17(3-2-9-25-19)23(28-21)27-15-6-7-18-22(11-15)32-24(29-18)14-4-5-14;1-2-10-24-17(5-1)20-13-19-16(4-3-11-25-19)22(27-20)26-15-8-9-18-21(12-15)29-23(28-18)14-6-7-14/h1-4,7-13H,5-6H2,(H,30,31);1-2,5-13H,3-4H2,(H,30,31);2-5,8-14H,6-7H2,1H3,(H,27,28);2-3,6-14H,4-5H2,1H3,(H,27,28);1-5,8-14,23,28H,6-7H2,(H,26,27).

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

2-cyclopropyl-N-[7-(3-methylsulfonyl-2-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(4-methylsulfonyl-2-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyridin-2-yl-1,6-naphthyridin-5-yl)-2,3-dihydro-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[3-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[6-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine has a molecular weight of 2271.65 g/mol, XLogP of 30.22, 22 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-N-[7-(3-methylsulfonyl-2-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(4-methylsulfonyl-2-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyridin-2-yl-1,6-naphthyridin-5-yl)-2,3-dihydro-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[3-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[6-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine is sourced from PubChem (CID 165082512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).