N-[2,5-dimethyl-4-[[4-(2-methyl-2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]methyl]phenyl]ethanimine

C24H26N2S — CID 144676337

About N-[2,5-dimethyl-4-[[4-(2-methyl-2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]methyl]phenyl]ethanimine

N-[2,5-dimethyl-4-[[4-(2-methyl-2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]methyl]phenyl]ethanimine (PubChem CID 144676337) has the molecular formula C24H26N2S and a molecular weight of 374.55 g/mol. Its IUPAC name is N-[2,5-dimethyl-4-[[4-(2-methyl-2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]methyl]phenyl]ethanimine.

Molecular Properties

• Compound Name: N-[2,5-dimethyl-4-[[4-(2-methyl-2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]methyl]phenyl]ethanimine
• PubChem CID: 144676337
• Molecular Formula: C24H26N2S
• Molecular Weight: 374.55 g/mol
• Exact Mass: 374.18
• IUPAC Name: N-[2,5-dimethyl-4-[[4-(2-methyl-2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]methyl]phenyl]ethanimine
• SMILES: C/C=N/c1cc(C)c(Cc2nc(-c3ccc4c(c3)CC(C)C4)cs2)cc1C
• InChI: InChI=1S/C24H26N2S/c1-5-25-22-11-16(3)20(10-17(22)4)13-24-26-23(14-27-24)19-7-6-18-8-15(2)9-21(18)12-19/h5-7,10-12,14-15H,8-9,13H2,1-4H3/b25-5+
• InChIKey: RXIMCWAALVOLHO-VVAXDPKNSA-N
• XLogP: 6.47
• TPSA: 25.25 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	374.55
LogP ≤ 5	6.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2,5-dimethyl-4-[[4-(2-methyl-2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]methyl]phenyl]ethanimine?

The IUPAC name of N-[2,5-dimethyl-4-[[4-(2-methyl-2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]methyl]phenyl]ethanimine (CID 144676337) is N-[2,5-dimethyl-4-[[4-(2-methyl-2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]methyl]phenyl]ethanimine.

What is the SMILES notation for N-[2,5-dimethyl-4-[[4-(2-methyl-2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]methyl]phenyl]ethanimine?

The canonical SMILES for N-[2,5-dimethyl-4-[[4-(2-methyl-2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]methyl]phenyl]ethanimine is C/C=N/c1cc(C)c(Cc2nc(-c3ccc4c(c3)CC(C)C4)cs2)cc1C.

What is the InChIKey of N-[2,5-dimethyl-4-[[4-(2-methyl-2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]methyl]phenyl]ethanimine?

The InChIKey is RXIMCWAALVOLHO-VVAXDPKNSA-N. The full InChI is InChI=1S/C24H26N2S/c1-5-25-22-11-16(3)20(10-17(22)4)13-24-26-23(14-27-24)19-7-6-18-8-15(2)9-21(18)12-19/h5-7,10-12,14-15H,8-9,13H2,1-4H3/b25-5+.

What are the key properties of N-[2,5-dimethyl-4-[[4-(2-methyl-2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]methyl]phenyl]ethanimine?

N-[2,5-dimethyl-4-[[4-(2-methyl-2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]methyl]phenyl]ethanimine has a molecular weight of 374.55 g/mol, XLogP of 6.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2,5-dimethyl-4-[[4-(2-methyl-2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]methyl]phenyl]ethanimine is sourced from PubChem (CID 144676337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).