N-cyclohexyl-6-[[5-(5-methoxy-3-pyridinyl)-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine

C24H24N4O2S — CID 89225564

About N-cyclohexyl-6-[[5-(5-methoxy-3-pyridinyl)-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine

N-cyclohexyl-6-[[5-(5-methoxy-3-pyridinyl)-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine (PubChem CID 89225564) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is N-cyclohexyl-6-[[5-(5-methoxy-3-pyridinyl)-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine.

Molecular Properties

• Compound Name: N-cyclohexyl-6-[[5-(5-methoxy-3-pyridinyl)-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine
• PubChem CID: 89225564
• Molecular Formula: C24H24N4O2S
• Molecular Weight: 432.55 g/mol
• Exact Mass: 432.16
• IUPAC Name: N-cyclohexyl-6-[[5-(5-methoxy-3-pyridinyl)-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine
• SMILES: COc1cncc(-c2cncc(Oc3ccc4nc(NC5CCCCC5)sc4c3)c2)c1
• InChI: InChI=1S/C24H24N4O2S/c1-29-20-9-16(12-25-14-20)17-10-21(15-26-13-17)30-19-7-8-22-23(11-19)31-24(28-22)27-18-5-3-2-4-6-18/h7-15,18H,2-6H2,1H3,(H,27,28)
• InChIKey: RHBVRWIXJXSIKY-UHFFFAOYSA-N
• XLogP: 6.30
• TPSA: 69.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.55
LogP ≤ 5	6.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-[[5-(5-methoxy-3-pyridinyl)-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine?

The IUPAC name of N-cyclohexyl-6-[[5-(5-methoxy-3-pyridinyl)-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine (CID 89225564) is N-cyclohexyl-6-[[5-(5-methoxy-3-pyridinyl)-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine.

What is the SMILES notation for N-cyclohexyl-6-[[5-(5-methoxy-3-pyridinyl)-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine?

The canonical SMILES for N-cyclohexyl-6-[[5-(5-methoxy-3-pyridinyl)-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine is COc1cncc(-c2cncc(Oc3ccc4nc(NC5CCCCC5)sc4c3)c2)c1.

What is the InChIKey of N-cyclohexyl-6-[[5-(5-methoxy-3-pyridinyl)-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine?

The InChIKey is RHBVRWIXJXSIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S/c1-29-20-9-16(12-25-14-20)17-10-21(15-26-13-17)30-19-7-8-22-23(11-19)31-24(28-22)27-18-5-3-2-4-6-18/h7-15,18H,2-6H2,1H3,(H,27,28).

What are the key properties of N-cyclohexyl-6-[[5-(5-methoxy-3-pyridinyl)-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine?

N-cyclohexyl-6-[[5-(5-methoxy-3-pyridinyl)-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine has a molecular weight of 432.55 g/mol, XLogP of 6.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-6-[[5-(5-methoxy-3-pyridinyl)-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 89225564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).