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

C118H84ClF6N25O2S6 — CID 164976171

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

N-[7-(3-chloro-4-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[3-(difluoromethyl)-4-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(3-fluoro-4-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(2-methylsulfonyl-4-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[3-(trifluoromethyl)-4-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine (PubChem CID 164976171) has the molecular formula C118H84ClF6N25O2S6 and a molecular weight of 2225.99 g/mol. Its IUPAC name is N-[7-(3-chloro-4-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[3-(difluoromethyl)-4-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(3-fluoro-4-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(2-methylsulfonyl-4-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[3-(trifluoromethyl)-4-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine.

Molecular Properties

• Compound Name: N-[7-(3-chloro-4-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[3-(difluoromethyl)-4-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(3-fluoro-4-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(2-methylsulfonyl-4-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[3-(trifluoromethyl)-4-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine
• PubChem CID: 164976171
• Molecular Formula: C118H84ClF6N25O2S6
• Molecular Weight: 2225.99 g/mol
• Exact Mass: 2223.52
• IUPAC Name: N-[7-(3-chloro-4-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[3-(difluoromethyl)-4-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(3-fluoro-4-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(2-methylsulfonyl-4-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[3-(trifluoromethyl)-4-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine
• SMILES: CS(=O)(=O)c1cc(-c2cc3ncccc3c(Nc3ccc4nc(C5CC5)sc4c3)n2)ccn1.Clc1cnccc1-c1cc2ncccc2c(Nc2ccc3nc(C4CC4)sc3c2)n1.FC(F)(F)c1cnccc1-c1cc2ncccc2c(Nc2ccc3nc(C4CC4)sc3c2)n1.FC(F)c1cnccc1-c1cc2ncccc2c(Nc2ccc3nc(C4CC4)sc3c2)n1.Fc1cnccc1-c1cc2ncccc2c(Nc2ccc3nc(C4CC4)sc3c2)n1
• InChI: InChI=1S/C24H16F3N5S.C24H17F2N5S.C24H19N5O2S2.C23H16ClN5S.C23H16FN5S/c25-24(26,27)17-12-28-9-7-15(17)20-11-19-16(2-1-8-29-19)22(31-20)30-14-5-6-18-21(10-14)33-23(32-18)13-3-4-13;25-22(26)17-12-27-9-7-15(17)20-11-19-16(2-1-8-28-19)23(30-20)29-14-5-6-18-21(10-14)32-24(31-18)13-3-4-13;1-33(30,31)22-11-15(8-10-26-22)19-13-20-17(3-2-9-25-20)23(28-19)27-16-6-7-18-21(12-16)32-24(29-18)14-4-5-14;2*24-17-12-25-9-7-15(17)20-11-19-16(2-1-8-26-19)22(28-20)27-14-5-6-18-21(10-14)30-23(29-18)13-3-4-13/h1-2,5-13H,3-4H2,(H,30,31);1-2,5-13,22H,3-4H2,(H,29,30);2-3,6-14H,4-5H2,1H3,(H,27,28);2*1-2,5-13H,3-4H2,(H,27,28)
• InChIKey: DUTHXPSGVIDOIL-UHFFFAOYSA-N
• XLogP: 31.76
• TPSA: 352.09 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 32
• Rotatable Bonds: 22
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2225.99
LogP ≤ 5	31.76
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

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

The IUPAC name of N-[7-(3-chloro-4-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[3-(difluoromethyl)-4-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(3-fluoro-4-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(2-methylsulfonyl-4-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[3-(trifluoromethyl)-4-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine (CID 164976171) is N-[7-(3-chloro-4-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[3-(difluoromethyl)-4-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(3-fluoro-4-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(2-methylsulfonyl-4-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[3-(trifluoromethyl)-4-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine.

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

The canonical SMILES for N-[7-(3-chloro-4-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[3-(difluoromethyl)-4-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(3-fluoro-4-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(2-methylsulfonyl-4-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[3-(trifluoromethyl)-4-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine is CS(=O)(=O)c1cc(-c2cc3ncccc3c(Nc3ccc4nc(C5CC5)sc4c3)n2)ccn1.Clc1cnccc1-c1cc2ncccc2c(Nc2ccc3nc(C4CC4)sc3c2)n1.FC(F)(F)c1cnccc1-c1cc2ncccc2c(Nc2ccc3nc(C4CC4)sc3c2)n1.FC(F)c1cnccc1-c1cc2ncccc2c(Nc2ccc3nc(C4CC4)sc3c2)n1.Fc1cnccc1-c1cc2ncccc2c(Nc2ccc3nc(C4CC4)sc3c2)n1.

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

The InChIKey is DUTHXPSGVIDOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F3N5S.C24H17F2N5S.C24H19N5O2S2.C23H16ClN5S.C23H16FN5S/c25-24(26,27)17-12-28-9-7-15(17)20-11-19-16(2-1-8-29-19)22(31-20)30-14-5-6-18-21(10-14)33-23(32-18)13-3-4-13;25-22(26)17-12-27-9-7-15(17)20-11-19-16(2-1-8-28-19)23(30-20)29-14-5-6-18-21(10-14)32-24(31-18)13-3-4-13;1-33(30,31)22-11-15(8-10-26-22)19-13-20-17(3-2-9-25-20)23(28-19)27-16-6-7-18-21(12-16)32-24(29-18)14-4-5-14;2*24-17-12-25-9-7-15(17)20-11-19-16(2-1-8-26-19)22(28-20)27-14-5-6-18-21(10-14)30-23(29-18)13-3-4-13/h1-2,5-13H,3-4H2,(H,30,31);1-2,5-13,22H,3-4H2,(H,29,30);2-3,6-14H,4-5H2,1H3,(H,27,28);2*1-2,5-13H,3-4H2,(H,27,28).

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

N-[7-(3-chloro-4-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[3-(difluoromethyl)-4-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(3-fluoro-4-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(2-methylsulfonyl-4-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[3-(trifluoromethyl)-4-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine has a molecular weight of 2225.99 g/mol, XLogP of 31.76, 22 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-[7-(3-chloro-4-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[3-(difluoromethyl)-4-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(3-fluoro-4-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(2-methylsulfonyl-4-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[3-(trifluoromethyl)-4-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine is sourced from PubChem (CID 164976171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).