N-cyclohexyl-6-[(2-pyridin-2-yl-4-pyridinyl)oxy]-1,3-benzothiazol-2-amine

C23H22N4OS — CID 89325661

About N-cyclohexyl-6-[(2-pyridin-2-yl-4-pyridinyl)oxy]-1,3-benzothiazol-2-amine

N-cyclohexyl-6-[(2-pyridin-2-yl-4-pyridinyl)oxy]-1,3-benzothiazol-2-amine (PubChem CID 89325661) has the molecular formula C23H22N4OS and a molecular weight of 402.52 g/mol. Its IUPAC name is N-cyclohexyl-6-[(2-pyridin-2-yl-4-pyridinyl)oxy]-1,3-benzothiazol-2-amine.

Molecular Properties

• Compound Name: N-cyclohexyl-6-[(2-pyridin-2-yl-4-pyridinyl)oxy]-1,3-benzothiazol-2-amine
• PubChem CID: 89325661
• Molecular Formula: C23H22N4OS
• Molecular Weight: 402.52 g/mol
• Exact Mass: 402.15
• IUPAC Name: N-cyclohexyl-6-[(2-pyridin-2-yl-4-pyridinyl)oxy]-1,3-benzothiazol-2-amine
• SMILES: c1ccc(-c2cc(Oc3ccc4nc(NC5CCCCC5)sc4c3)ccn2)nc1
• InChI: InChI=1S/C23H22N4OS/c1-2-6-16(7-3-1)26-23-27-20-10-9-17(15-22(20)29-23)28-18-11-13-25-21(14-18)19-8-4-5-12-24-19/h4-5,8-16H,1-3,6-7H2,(H,26,27)
• InChIKey: ZMQVDOCEAVMFPB-UHFFFAOYSA-N
• XLogP: 6.29
• TPSA: 59.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	402.52
LogP ≤ 5	6.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-cyclohexyl-6-[(2-pyridin-2-yl-4-pyridinyl)oxy]-1,3-benzothiazol-2-amine (CID 89325661) is N-cyclohexyl-6-[(2-pyridin-2-yl-4-pyridinyl)oxy]-1,3-benzothiazol-2-amine.

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

The canonical SMILES for N-cyclohexyl-6-[(2-pyridin-2-yl-4-pyridinyl)oxy]-1,3-benzothiazol-2-amine is c1ccc(-c2cc(Oc3ccc4nc(NC5CCCCC5)sc4c3)ccn2)nc1.

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

The InChIKey is ZMQVDOCEAVMFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4OS/c1-2-6-16(7-3-1)26-23-27-20-10-9-17(15-22(20)29-23)28-18-11-13-25-21(14-18)19-8-4-5-12-24-19/h4-5,8-16H,1-3,6-7H2,(H,26,27).

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

N-cyclohexyl-6-[(2-pyridin-2-yl-4-pyridinyl)oxy]-1,3-benzothiazol-2-amine has a molecular weight of 402.52 g/mol, XLogP of 6.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-6-[(2-pyridin-2-yl-4-pyridinyl)oxy]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 89325661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).