3-[[2-methoxy-5-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]methyl]-5,5-dimethylimidazolidine-2,4-dione

C23H23N5O3S — CID 168578658

About 3-[[2-methoxy-5-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]methyl]-5,5-dimethylimidazolidine-2,4-dione

3-[[2-methoxy-5-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]methyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 168578658) has the molecular formula C23H23N5O3S and a molecular weight of 449.54 g/mol. Its IUPAC name is 3-[[2-methoxy-5-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]methyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 3-[[2-methoxy-5-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]methyl]-5,5-dimethylimidazolidine-2,4-dione
• PubChem CID: 168578658
• Molecular Formula: C23H23N5O3S
• Molecular Weight: 449.54 g/mol
• Exact Mass: 449.15
• IUPAC Name: 3-[[2-methoxy-5-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]methyl]-5,5-dimethylimidazolidine-2,4-dione
• SMILES: COc1ccc(C=NNc2nc(-c3ccccc3)cs2)cc1CN1C(=O)NC(C)(C)C1=O
• InChI: InChI=1S/C23H23N5O3S/c1-23(2)20(29)28(22(30)26-23)13-17-11-15(9-10-19(17)31-3)12-24-27-21-25-18(14-32-21)16-7-5-4-6-8-16/h4-12,14H,13H2,1-3H3,(H,25,27)(H,26,30)
• InChIKey: QCVNJCAOTHPVCN-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 95.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.54
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[[2-methoxy-5-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]methyl]-5,5-dimethylimidazolidine-2,4-dione?

The IUPAC name of 3-[[2-methoxy-5-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]methyl]-5,5-dimethylimidazolidine-2,4-dione (CID 168578658) is 3-[[2-methoxy-5-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]methyl]-5,5-dimethylimidazolidine-2,4-dione.

What is the SMILES notation for 3-[[2-methoxy-5-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]methyl]-5,5-dimethylimidazolidine-2,4-dione?

The canonical SMILES for 3-[[2-methoxy-5-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]methyl]-5,5-dimethylimidazolidine-2,4-dione is COc1ccc(C=NNc2nc(-c3ccccc3)cs2)cc1CN1C(=O)NC(C)(C)C1=O.

What is the InChIKey of 3-[[2-methoxy-5-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]methyl]-5,5-dimethylimidazolidine-2,4-dione?

The InChIKey is QCVNJCAOTHPVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3S/c1-23(2)20(29)28(22(30)26-23)13-17-11-15(9-10-19(17)31-3)12-24-27-21-25-18(14-32-21)16-7-5-4-6-8-16/h4-12,14H,13H2,1-3H3,(H,25,27)(H,26,30).

What are the key properties of 3-[[2-methoxy-5-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]methyl]-5,5-dimethylimidazolidine-2,4-dione?

3-[[2-methoxy-5-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]methyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 449.54 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[2-methoxy-5-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]methyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 168578658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).