3-[3-(1,3-benzothiazol-6-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-methylbenzonitrile;3-[3-(1,3-benzoxazol-6-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-methylbenzonitrile;3-[3-(4-chloro-1,3-benzothiazol-6-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-methylbenzonitrile;3-[3-(4-chloro-1,3-benzoxazol-6-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-methylbenzonitrile

C96H62Cl2N16O2S2 — CID 163795627

About 3-[3-(1,3-benzothiazol-6-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-methylbenzonitrile;3-[3-(1,3-benzoxazol-6-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-methylbenzonitrile;3-[3-(4-chloro-1,3-benzothiazol-6-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-methylbenzonitrile;3-[3-(4-chloro-1,3-benzoxazol-6-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-methylbenzonitrile

3-[3-(1,3-benzothiazol-6-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-methylbenzonitrile;3-[3-(1,3-benzoxazol-6-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-methylbenzonitrile;3-[3-(4-chloro-1,3-benzothiazol-6-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-methylbenzonitrile;3-[3-(4-chloro-1,3-benzoxazol-6-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-methylbenzonitrile (PubChem CID 163795627) has the molecular formula C96H62Cl2N16O2S2 and a molecular weight of 1606.70 g/mol. Its IUPAC name is 3-[3-(1,3-benzothiazol-6-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-methylbenzonitrile;3-[3-(1,3-benzoxazol-6-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-methylbenzonitrile;3-[3-(4-chloro-1,3-benzothiazol-6-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-methylbenzonitrile;3-[3-(4-chloro-1,3-benzoxazol-6-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-methylbenzonitrile.

Molecular Properties

• Compound Name: 3-[3-(1,3-benzothiazol-6-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-methylbenzonitrile;3-[3-(1,3-benzoxazol-6-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-methylbenzonitrile;3-[3-(4-chloro-1,3-benzothiazol-6-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-methylbenzonitrile;3-[3-(4-chloro-1,3-benzoxazol-6-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-methylbenzonitrile
• PubChem CID: 163795627
• Molecular Formula: C96H62Cl2N16O2S2
• Molecular Weight: 1606.70 g/mol
• Exact Mass: 1604.41
• IUPAC Name: 3-[3-(1,3-benzothiazol-6-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-methylbenzonitrile;3-[3-(1,3-benzoxazol-6-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-methylbenzonitrile;3-[3-(4-chloro-1,3-benzothiazol-6-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-methylbenzonitrile;3-[3-(4-chloro-1,3-benzoxazol-6-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-methylbenzonitrile
• SMILES: C=C1C=Cc2cc(-c3cc(Cl)c4ncoc4c3)c(-c3cccc(C#N)c3C)nc2N1.C=C1C=Cc2cc(-c3cc(Cl)c4ncsc4c3)c(-c3cccc(C#N)c3C)nc2N1.C=C1C=Cc2cc(-c3ccc4ncoc4c3)c(-c3cccc(C#N)c3C)nc2N1.C=C1C=Cc2cc(-c3ccc4ncsc4c3)c(-c3cccc(C#N)c3C)nc2N1
• InChI: InChI=1S/C24H15ClN4O.C24H15ClN4S.C24H16N4O.C24H16N4S/c2*1-13-6-7-15-8-19(17-9-20(25)23-21(10-17)30-12-27-23)22(29-24(15)28-13)18-5-3-4-16(11-26)14(18)2;2*1-14-6-7-17-10-20(16-8-9-21-22(11-16)29-13-26-21)23(28-24(17)27-14)19-5-3-4-18(12-25)15(19)2/h2*3-10,12H,1H2,2H3,(H,28,29);2*3-11,13H,1H2,2H3,(H,27,28)
• InChIKey: NANALDBXIJTRNL-UHFFFAOYSA-N
• XLogP: 25.00
• TPSA: 272.68 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 8
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1606.70
LogP ≤ 5	25.00
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1,3-benzothiazol-6-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-methylbenzonitrile;3-[3-(1,3-benzoxazol-6-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-methylbenzonitrile;3-[3-(4-chloro-1,3-benzothiazol-6-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-methylbenzonitrile;3-[3-(4-chloro-1,3-benzoxazol-6-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-methylbenzonitrile?

The IUPAC name of 3-[3-(1,3-benzothiazol-6-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-methylbenzonitrile;3-[3-(1,3-benzoxazol-6-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-methylbenzonitrile;3-[3-(4-chloro-1,3-benzothiazol-6-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-methylbenzonitrile;3-[3-(4-chloro-1,3-benzoxazol-6-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-methylbenzonitrile (CID 163795627) is 3-[3-(1,3-benzothiazol-6-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-methylbenzonitrile;3-[3-(1,3-benzoxazol-6-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-methylbenzonitrile;3-[3-(4-chloro-1,3-benzothiazol-6-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-methylbenzonitrile;3-[3-(4-chloro-1,3-benzoxazol-6-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-methylbenzonitrile.

What is the SMILES notation for 3-[3-(1,3-benzothiazol-6-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-methylbenzonitrile;3-[3-(1,3-benzoxazol-6-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-methylbenzonitrile;3-[3-(4-chloro-1,3-benzothiazol-6-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-methylbenzonitrile;3-[3-(4-chloro-1,3-benzoxazol-6-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-methylbenzonitrile?

The canonical SMILES for 3-[3-(1,3-benzothiazol-6-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-methylbenzonitrile;3-[3-(1,3-benzoxazol-6-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-methylbenzonitrile;3-[3-(4-chloro-1,3-benzothiazol-6-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-methylbenzonitrile;3-[3-(4-chloro-1,3-benzoxazol-6-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-methylbenzonitrile is C=C1C=Cc2cc(-c3cc(Cl)c4ncoc4c3)c(-c3cccc(C#N)c3C)nc2N1.C=C1C=Cc2cc(-c3cc(Cl)c4ncsc4c3)c(-c3cccc(C#N)c3C)nc2N1.C=C1C=Cc2cc(-c3ccc4ncoc4c3)c(-c3cccc(C#N)c3C)nc2N1.C=C1C=Cc2cc(-c3ccc4ncsc4c3)c(-c3cccc(C#N)c3C)nc2N1.

What is the InChIKey of 3-[3-(1,3-benzothiazol-6-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-methylbenzonitrile;3-[3-(1,3-benzoxazol-6-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-methylbenzonitrile;3-[3-(4-chloro-1,3-benzothiazol-6-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-methylbenzonitrile;3-[3-(4-chloro-1,3-benzoxazol-6-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-methylbenzonitrile?

The InChIKey is NANALDBXIJTRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClN4O.C24H15ClN4S.C24H16N4O.C24H16N4S/c2*1-13-6-7-15-8-19(17-9-20(25)23-21(10-17)30-12-27-23)22(29-24(15)28-13)18-5-3-4-16(11-26)14(18)2;2*1-14-6-7-17-10-20(16-8-9-21-22(11-16)29-13-26-21)23(28-24(17)27-14)19-5-3-4-18(12-25)15(19)2/h2*3-10,12H,1H2,2H3,(H,28,29);2*3-11,13H,1H2,2H3,(H,27,28).

What are the key properties of 3-[3-(1,3-benzothiazol-6-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-methylbenzonitrile;3-[3-(1,3-benzoxazol-6-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-methylbenzonitrile;3-[3-(4-chloro-1,3-benzothiazol-6-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-methylbenzonitrile;3-[3-(4-chloro-1,3-benzoxazol-6-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-methylbenzonitrile?

3-[3-(1,3-benzothiazol-6-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-methylbenzonitrile;3-[3-(1,3-benzoxazol-6-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-methylbenzonitrile;3-[3-(4-chloro-1,3-benzothiazol-6-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-methylbenzonitrile;3-[3-(4-chloro-1,3-benzoxazol-6-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-methylbenzonitrile has a molecular weight of 1606.70 g/mol, XLogP of 25.00, 8 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(1,3-benzothiazol-6-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-methylbenzonitrile;3-[3-(1,3-benzoxazol-6-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-methylbenzonitrile;3-[3-(4-chloro-1,3-benzothiazol-6-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-methylbenzonitrile;3-[3-(4-chloro-1,3-benzoxazol-6-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-methylbenzonitrile is sourced from PubChem (CID 163795627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).