N-cyclohexyl-6-[[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-benzothiazol-2-amine

C24H28N4O2S — CID 126761056

About N-cyclohexyl-6-[[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-benzothiazol-2-amine

N-cyclohexyl-6-[[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-benzothiazol-2-amine (PubChem CID 126761056) has the molecular formula C24H28N4O2S and a molecular weight of 436.58 g/mol. Its IUPAC name is N-cyclohexyl-6-[[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-benzothiazol-2-amine.

Molecular Properties

• Compound Name: N-cyclohexyl-6-[[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-benzothiazol-2-amine
• PubChem CID: 126761056
• Molecular Formula: C24H28N4O2S
• Molecular Weight: 436.58 g/mol
• Exact Mass: 436.19
• IUPAC Name: N-cyclohexyl-6-[[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-benzothiazol-2-amine
• SMILES: COCCOc1ccn2c(Cc3ccc4nc(NC5CCCCC5)sc4c3)cnc2c1
• InChI: InChI=1S/C24H28N4O2S/c1-29-11-12-30-20-9-10-28-19(16-25-23(28)15-20)13-17-7-8-21-22(14-17)31-24(27-21)26-18-5-3-2-4-6-18/h7-10,14-16,18H,2-6,11-13H2,1H3,(H,26,27)
• InChIKey: HBXRBBIRLVMUMD-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 60.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.58
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-[[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-benzothiazol-2-amine?

The IUPAC name of N-cyclohexyl-6-[[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-benzothiazol-2-amine (CID 126761056) is N-cyclohexyl-6-[[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-benzothiazol-2-amine.

What is the SMILES notation for N-cyclohexyl-6-[[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-benzothiazol-2-amine?

The canonical SMILES for N-cyclohexyl-6-[[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-benzothiazol-2-amine is COCCOc1ccn2c(Cc3ccc4nc(NC5CCCCC5)sc4c3)cnc2c1.

What is the InChIKey of N-cyclohexyl-6-[[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-benzothiazol-2-amine?

The InChIKey is HBXRBBIRLVMUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2S/c1-29-11-12-30-20-9-10-28-19(16-25-23(28)15-20)13-17-7-8-21-22(14-17)31-24(27-21)26-18-5-3-2-4-6-18/h7-10,14-16,18H,2-6,11-13H2,1H3,(H,26,27).

What are the key properties of N-cyclohexyl-6-[[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-benzothiazol-2-amine?

N-cyclohexyl-6-[[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-benzothiazol-2-amine has a molecular weight of 436.58 g/mol, XLogP of 5.30, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-6-[[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 126761056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).