3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]imidazolidine-2,4-dione

C17H24N6O3S — CID 129000797

About 3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]imidazolidine-2,4-dione

3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]imidazolidine-2,4-dione (PubChem CID 129000797) has the molecular formula C17H24N6O3S and a molecular weight of 392.49 g/mol. Its IUPAC name is 3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]imidazolidine-2,4-dione
• PubChem CID: 129000797
• Molecular Formula: C17H24N6O3S
• Molecular Weight: 392.49 g/mol
• Exact Mass: 392.16
• IUPAC Name: 3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]imidazolidine-2,4-dione
• SMILES: COCCn1cc(CC2NC(=O)N(Cc3csc(C(C)(C)C)n3)C2=O)nn1
• InChI: InChI=1S/C17H24N6O3S/c1-17(2,3)15-18-12(10-27-15)9-23-14(24)13(19-16(23)25)7-11-8-22(21-20-11)5-6-26-4/h8,10,13H,5-7,9H2,1-4H3,(H,19,25)
• InChIKey: CMLKVKNQOVASFS-UHFFFAOYSA-N
• XLogP: 1.34
• TPSA: 102.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.49
LogP ≤ 5	1.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]imidazolidine-2,4-dione?

The IUPAC name of 3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]imidazolidine-2,4-dione (CID 129000797) is 3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]imidazolidine-2,4-dione.

What is the SMILES notation for 3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]imidazolidine-2,4-dione?

The canonical SMILES for 3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]imidazolidine-2,4-dione is COCCn1cc(CC2NC(=O)N(Cc3csc(C(C)(C)C)n3)C2=O)nn1.

What is the InChIKey of 3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]imidazolidine-2,4-dione?

The InChIKey is CMLKVKNQOVASFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O3S/c1-17(2,3)15-18-12(10-27-15)9-23-14(24)13(19-16(23)25)7-11-8-22(21-20-11)5-6-26-4/h8,10,13H,5-7,9H2,1-4H3,(H,19,25).

What are the key properties of 3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]imidazolidine-2,4-dione?

3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 392.49 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 129000797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).