3-(3-imidazol-1-ylpropyl)-4-(6-methoxynaphthalen-2-yl)-N-pyridin-3-yl-1,3-thiazol-2-imine

C25H23N5OS — CID 23903651

About 3-(3-imidazol-1-ylpropyl)-4-(6-methoxynaphthalen-2-yl)-N-pyridin-3-yl-1,3-thiazol-2-imine

3-(3-imidazol-1-ylpropyl)-4-(6-methoxynaphthalen-2-yl)-N-pyridin-3-yl-1,3-thiazol-2-imine (PubChem CID 23903651) has the molecular formula C25H23N5OS and a molecular weight of 441.56 g/mol. Its IUPAC name is 3-(3-imidazol-1-ylpropyl)-4-(6-methoxynaphthalen-2-yl)-N-pyridin-3-yl-1,3-thiazol-2-imine.

Molecular Properties

• Compound Name: 3-(3-imidazol-1-ylpropyl)-4-(6-methoxynaphthalen-2-yl)-N-pyridin-3-yl-1,3-thiazol-2-imine
• PubChem CID: 23903651
• Molecular Formula: C25H23N5OS
• Molecular Weight: 441.56 g/mol
• Exact Mass: 441.16
• IUPAC Name: 3-(3-imidazol-1-ylpropyl)-4-(6-methoxynaphthalen-2-yl)-N-pyridin-3-yl-1,3-thiazol-2-imine
• SMILES: COc1ccc2cc(-c3cs/c(=N\c4cccnc4)n3CCCn3ccnc3)ccc2c1
• InChI: InChI=1S/C25H23N5OS/c1-31-23-8-7-19-14-21(6-5-20(19)15-23)24-17-32-25(28-22-4-2-9-26-16-22)30(24)12-3-11-29-13-10-27-18-29/h2,4-10,13-18H,3,11-12H2,1H3/b28-25-
• InChIKey: CJEITBSQUKMULU-FVDSYPCUSA-N
• XLogP: 5.29
• TPSA: 57.23 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	441.56
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(3-imidazol-1-ylpropyl)-4-(6-methoxynaphthalen-2-yl)-N-pyridin-3-yl-1,3-thiazol-2-imine?

The IUPAC name of 3-(3-imidazol-1-ylpropyl)-4-(6-methoxynaphthalen-2-yl)-N-pyridin-3-yl-1,3-thiazol-2-imine (CID 23903651) is 3-(3-imidazol-1-ylpropyl)-4-(6-methoxynaphthalen-2-yl)-N-pyridin-3-yl-1,3-thiazol-2-imine.

What is the SMILES notation for 3-(3-imidazol-1-ylpropyl)-4-(6-methoxynaphthalen-2-yl)-N-pyridin-3-yl-1,3-thiazol-2-imine?

The canonical SMILES for 3-(3-imidazol-1-ylpropyl)-4-(6-methoxynaphthalen-2-yl)-N-pyridin-3-yl-1,3-thiazol-2-imine is COc1ccc2cc(-c3cs/c(=N\c4cccnc4)n3CCCn3ccnc3)ccc2c1.

What is the InChIKey of 3-(3-imidazol-1-ylpropyl)-4-(6-methoxynaphthalen-2-yl)-N-pyridin-3-yl-1,3-thiazol-2-imine?

The InChIKey is CJEITBSQUKMULU-FVDSYPCUSA-N. The full InChI is InChI=1S/C25H23N5OS/c1-31-23-8-7-19-14-21(6-5-20(19)15-23)24-17-32-25(28-22-4-2-9-26-16-22)30(24)12-3-11-29-13-10-27-18-29/h2,4-10,13-18H,3,11-12H2,1H3/b28-25-.

What are the key properties of 3-(3-imidazol-1-ylpropyl)-4-(6-methoxynaphthalen-2-yl)-N-pyridin-3-yl-1,3-thiazol-2-imine?

3-(3-imidazol-1-ylpropyl)-4-(6-methoxynaphthalen-2-yl)-N-pyridin-3-yl-1,3-thiazol-2-imine has a molecular weight of 441.56 g/mol, XLogP of 5.29, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-imidazol-1-ylpropyl)-4-(6-methoxynaphthalen-2-yl)-N-pyridin-3-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 23903651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).