3-[4-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione

C19H25N5O3S — CID 46956115

About 3-[4-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione

3-[4-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione (PubChem CID 46956115) has the molecular formula C19H25N5O3S and a molecular weight of 403.51 g/mol. Its IUPAC name is 3-[4-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 3-[4-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione
• PubChem CID: 46956115
• Molecular Formula: C19H25N5O3S
• Molecular Weight: 403.51 g/mol
• Exact Mass: 403.17
• IUPAC Name: 3-[4-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione
• SMILES: Cc1csc2c(C3CCN(C(=O)CCCN4C(=O)CNC4=O)CC3)nc(C)n12
• InChI: InChI=1S/C19H25N5O3S/c1-12-11-28-18-17(21-13(2)24(12)18)14-5-8-22(9-6-14)15(25)4-3-7-23-16(26)10-20-19(23)27/h11,14H,3-10H2,1-2H3,(H,20,27)
• InChIKey: HVQSGVOOUISYHY-UHFFFAOYSA-N
• XLogP: 2.05
• TPSA: 87.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.51
LogP ≤ 5	2.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione?

The IUPAC name of 3-[4-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione (CID 46956115) is 3-[4-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione.

What is the SMILES notation for 3-[4-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione?

The canonical SMILES for 3-[4-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione is Cc1csc2c(C3CCN(C(=O)CCCN4C(=O)CNC4=O)CC3)nc(C)n12.

What is the InChIKey of 3-[4-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione?

The InChIKey is HVQSGVOOUISYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3S/c1-12-11-28-18-17(21-13(2)24(12)18)14-5-8-22(9-6-14)15(25)4-3-7-23-16(26)10-20-19(23)27/h11,14H,3-10H2,1-2H3,(H,20,27).

What are the key properties of 3-[4-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione?

3-[4-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione has a molecular weight of 403.51 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione is sourced from PubChem (CID 46956115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).