3-[(2-methoxynaphthalen-1-yl)methylideneamino]-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine

C22H21N3OS2 — CID 23937398

About 3-[(2-methoxynaphthalen-1-yl)methylideneamino]-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine

3-[(2-methoxynaphthalen-1-yl)methylideneamino]-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine (PubChem CID 23937398) has the molecular formula C22H21N3OS2 and a molecular weight of 407.56 g/mol. Its IUPAC name is 3-[(2-methoxynaphthalen-1-yl)methylideneamino]-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine.

Molecular Properties

• Compound Name: 3-[(2-methoxynaphthalen-1-yl)methylideneamino]-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine
• PubChem CID: 23937398
• Molecular Formula: C22H21N3OS2
• Molecular Weight: 407.56 g/mol
• Exact Mass: 407.11
• IUPAC Name: 3-[(2-methoxynaphthalen-1-yl)methylideneamino]-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine
• SMILES: COc1ccc2ccccc2c1C=Nn1c(-c2cccs2)cs/c1=N\C(C)C
• InChI: InChI=1S/C22H21N3OS2/c1-15(2)24-22-25(19(14-28-22)21-9-6-12-27-21)23-13-18-17-8-5-4-7-16(17)10-11-20(18)26-3/h4-15H,1-3H3/b23-13?,24-22-
• InChIKey: SUMOIGAASMUMOU-CKOWACIUSA-N
• XLogP: 5.63
• TPSA: 38.88 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	407.56
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxynaphthalen-1-yl)methylideneamino]-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine?

The IUPAC name of 3-[(2-methoxynaphthalen-1-yl)methylideneamino]-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine (CID 23937398) is 3-[(2-methoxynaphthalen-1-yl)methylideneamino]-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine.

What is the SMILES notation for 3-[(2-methoxynaphthalen-1-yl)methylideneamino]-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine?

The canonical SMILES for 3-[(2-methoxynaphthalen-1-yl)methylideneamino]-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine is COc1ccc2ccccc2c1C=Nn1c(-c2cccs2)cs/c1=N\C(C)C.

What is the InChIKey of 3-[(2-methoxynaphthalen-1-yl)methylideneamino]-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine?

The InChIKey is SUMOIGAASMUMOU-CKOWACIUSA-N. The full InChI is InChI=1S/C22H21N3OS2/c1-15(2)24-22-25(19(14-28-22)21-9-6-12-27-21)23-13-18-17-8-5-4-7-16(17)10-11-20(18)26-3/h4-15H,1-3H3/b23-13?,24-22-.

What are the key properties of 3-[(2-methoxynaphthalen-1-yl)methylideneamino]-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine?

3-[(2-methoxynaphthalen-1-yl)methylideneamino]-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine has a molecular weight of 407.56 g/mol, XLogP of 5.63, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2-methoxynaphthalen-1-yl)methylideneamino]-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 23937398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).