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

C21H20N4OS2 — CID 89225501

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

N-cyclohexyl-6-[[5-(1,3-thiazol-5-yl)-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine (PubChem CID 89225501) has the molecular formula C21H20N4OS2 and a molecular weight of 408.55 g/mol. Its IUPAC name is N-cyclohexyl-6-[[5-(1,3-thiazol-5-yl)-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine.

Molecular Properties

• Compound Name: N-cyclohexyl-6-[[5-(1,3-thiazol-5-yl)-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine
• PubChem CID: 89225501
• Molecular Formula: C21H20N4OS2
• Molecular Weight: 408.55 g/mol
• Exact Mass: 408.11
• IUPAC Name: N-cyclohexyl-6-[[5-(1,3-thiazol-5-yl)-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine
• SMILES: c1ncc(-c2cncc(Oc3ccc4nc(NC5CCCCC5)sc4c3)c2)s1
• InChI: InChI=1S/C21H20N4OS2/c1-2-4-15(5-3-1)24-21-25-18-7-6-16(9-19(18)28-21)26-17-8-14(10-22-11-17)20-12-23-13-27-20/h6-13,15H,1-5H2,(H,24,25)
• InChIKey: ZALPZFBAYWFBJI-UHFFFAOYSA-N
• XLogP: 6.35
• TPSA: 59.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	408.55
LogP ≤ 5	6.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-cyclohexyl-6-[[5-(1,3-thiazol-5-yl)-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine (CID 89225501) is N-cyclohexyl-6-[[5-(1,3-thiazol-5-yl)-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine.

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

The canonical SMILES for N-cyclohexyl-6-[[5-(1,3-thiazol-5-yl)-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine is c1ncc(-c2cncc(Oc3ccc4nc(NC5CCCCC5)sc4c3)c2)s1.

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

The InChIKey is ZALPZFBAYWFBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4OS2/c1-2-4-15(5-3-1)24-21-25-18-7-6-16(9-19(18)28-21)26-17-8-14(10-22-11-17)20-12-23-13-27-20/h6-13,15H,1-5H2,(H,24,25).

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

N-cyclohexyl-6-[[5-(1,3-thiazol-5-yl)-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine has a molecular weight of 408.55 g/mol, XLogP of 6.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-6-[[5-(1,3-thiazol-5-yl)-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 89225501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).