3-[[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

C25H33N5O3S — CID 24623488

About 3-[[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

3-[[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 24623488) has the molecular formula C25H33N5O3S and a molecular weight of 483.64 g/mol. Its IUPAC name is 3-[[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

• Compound Name: 3-[[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
• PubChem CID: 24623488
• Molecular Formula: C25H33N5O3S
• Molecular Weight: 483.64 g/mol
• Exact Mass: 483.23
• IUPAC Name: 3-[[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
• SMILES: COc1ccc(-c2nc(CN3CCN(CN4C(=O)NC5(CCC(C)CC5)C4=O)CC3)cs2)cc1
• InChI: InChI=1S/C25H33N5O3S/c1-18-7-9-25(10-8-18)23(31)30(24(32)27-25)17-29-13-11-28(12-14-29)15-20-16-34-22(26-20)19-3-5-21(33-2)6-4-19/h3-6,16,18H,7-15,17H2,1-2H3,(H,27,32)
• InChIKey: MGNYUYRLVKWOKL-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 78.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.64
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?

The IUPAC name of 3-[[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 24623488) is 3-[[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.

What is the SMILES notation for 3-[[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?

The canonical SMILES for 3-[[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is COc1ccc(-c2nc(CN3CCN(CN4C(=O)NC5(CCC(C)CC5)C4=O)CC3)cs2)cc1.

What is the InChIKey of 3-[[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?

The InChIKey is MGNYUYRLVKWOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O3S/c1-18-7-9-25(10-8-18)23(31)30(24(32)27-25)17-29-13-11-28(12-14-29)15-20-16-34-22(26-20)19-3-5-21(33-2)6-4-19/h3-6,16,18H,7-15,17H2,1-2H3,(H,27,32).

What are the key properties of 3-[[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?

3-[[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 483.64 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 24623488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).