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

C22H21N3OS — CID 23904413

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

4-(6-methoxynaphthalen-2-yl)-3-propan-2-yl-N-pyridin-3-yl-1,3-thiazol-2-imine (PubChem CID 23904413) has the molecular formula C22H21N3OS and a molecular weight of 375.50 g/mol. Its IUPAC name is 4-(6-methoxynaphthalen-2-yl)-3-propan-2-yl-N-pyridin-3-yl-1,3-thiazol-2-imine.

Molecular Properties

• Compound Name: 4-(6-methoxynaphthalen-2-yl)-3-propan-2-yl-N-pyridin-3-yl-1,3-thiazol-2-imine
• PubChem CID: 23904413
• Molecular Formula: C22H21N3OS
• Molecular Weight: 375.50 g/mol
• Exact Mass: 375.14
• IUPAC Name: 4-(6-methoxynaphthalen-2-yl)-3-propan-2-yl-N-pyridin-3-yl-1,3-thiazol-2-imine
• SMILES: COc1ccc2cc(-c3cs/c(=N\c4cccnc4)n3C(C)C)ccc2c1
• InChI: InChI=1S/C22H21N3OS/c1-15(2)25-21(14-27-22(25)24-19-5-4-10-23-13-19)18-7-6-17-12-20(26-3)9-8-16(17)11-18/h4-15H,1-3H3/b24-22-
• InChIKey: GOCKZLXNHNROAL-GYHWCHFESA-N
• XLogP: 5.59
• TPSA: 39.41 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	375.50
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 4-(6-methoxynaphthalen-2-yl)-3-propan-2-yl-N-pyridin-3-yl-1,3-thiazol-2-imine (CID 23904413) is 4-(6-methoxynaphthalen-2-yl)-3-propan-2-yl-N-pyridin-3-yl-1,3-thiazol-2-imine.

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

The canonical SMILES for 4-(6-methoxynaphthalen-2-yl)-3-propan-2-yl-N-pyridin-3-yl-1,3-thiazol-2-imine is COc1ccc2cc(-c3cs/c(=N\c4cccnc4)n3C(C)C)ccc2c1.

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

The InChIKey is GOCKZLXNHNROAL-GYHWCHFESA-N. The full InChI is InChI=1S/C22H21N3OS/c1-15(2)25-21(14-27-22(25)24-19-5-4-10-23-13-19)18-7-6-17-12-20(26-3)9-8-16(17)11-18/h4-15H,1-3H3/b24-22-.

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

4-(6-methoxynaphthalen-2-yl)-3-propan-2-yl-N-pyridin-3-yl-1,3-thiazol-2-imine has a molecular weight of 375.50 g/mol, XLogP of 5.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6-methoxynaphthalen-2-yl)-3-propan-2-yl-N-pyridin-3-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 23904413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).