6-[[2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]oxy]-N-cyclohexyl-1,3-benzothiazol-2-amine

C24H22F3N5OS — CID 89325539

About 6-[[2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]oxy]-N-cyclohexyl-1,3-benzothiazol-2-amine

6-[[2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]oxy]-N-cyclohexyl-1,3-benzothiazol-2-amine (PubChem CID 89325539) has the molecular formula C24H22F3N5OS and a molecular weight of 485.54 g/mol. Its IUPAC name is 6-[[2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]oxy]-N-cyclohexyl-1,3-benzothiazol-2-amine.

Molecular Properties

• Compound Name: 6-[[2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]oxy]-N-cyclohexyl-1,3-benzothiazol-2-amine
• PubChem CID: 89325539
• Molecular Formula: C24H22F3N5OS
• Molecular Weight: 485.54 g/mol
• Exact Mass: 485.15
• IUPAC Name: 6-[[2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]oxy]-N-cyclohexyl-1,3-benzothiazol-2-amine
• SMILES: Nc1ncc(-c2cc(Oc3ccc4nc(NC5CCCCC5)sc4c3)ccn2)cc1C(F)(F)F
• InChI: InChI=1S/C24H22F3N5OS/c25-24(26,27)18-10-14(13-30-22(18)28)20-11-17(8-9-29-20)33-16-6-7-19-21(12-16)34-23(32-19)31-15-4-2-1-3-5-15/h6-13,15H,1-5H2,(H2,28,30)(H,31,32)
• InChIKey: IQDRTVXONUHPBN-UHFFFAOYSA-N
• XLogP: 6.89
• TPSA: 85.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.54
LogP ≤ 5	6.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[[2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]oxy]-N-cyclohexyl-1,3-benzothiazol-2-amine?

The IUPAC name of 6-[[2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]oxy]-N-cyclohexyl-1,3-benzothiazol-2-amine (CID 89325539) is 6-[[2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]oxy]-N-cyclohexyl-1,3-benzothiazol-2-amine.

What is the SMILES notation for 6-[[2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]oxy]-N-cyclohexyl-1,3-benzothiazol-2-amine?

The canonical SMILES for 6-[[2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]oxy]-N-cyclohexyl-1,3-benzothiazol-2-amine is Nc1ncc(-c2cc(Oc3ccc4nc(NC5CCCCC5)sc4c3)ccn2)cc1C(F)(F)F.

What is the InChIKey of 6-[[2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]oxy]-N-cyclohexyl-1,3-benzothiazol-2-amine?

The InChIKey is IQDRTVXONUHPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N5OS/c25-24(26,27)18-10-14(13-30-22(18)28)20-11-17(8-9-29-20)33-16-6-7-19-21(12-16)34-23(32-19)31-15-4-2-1-3-5-15/h6-13,15H,1-5H2,(H2,28,30)(H,31,32).

What are the key properties of 6-[[2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]oxy]-N-cyclohexyl-1,3-benzothiazol-2-amine?

6-[[2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]oxy]-N-cyclohexyl-1,3-benzothiazol-2-amine has a molecular weight of 485.54 g/mol, XLogP of 6.89, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]oxy]-N-cyclohexyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 89325539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).