1-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

C27H30N4O3S — CID 26137327

About 1-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

1-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 26137327) has the molecular formula C27H30N4O3S and a molecular weight of 490.63 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

• Compound Name: 1-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• PubChem CID: 26137327
• Molecular Formula: C27H30N4O3S
• Molecular Weight: 490.63 g/mol
• Exact Mass: 490.20
• IUPAC Name: 1-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• SMILES: COc1ccc(CCN2C(=O)N(C)C(=O)C23CCN(Cc2nc(-c4ccccc4)cs2)CC3)cc1
• InChI: InChI=1S/C27H30N4O3S/c1-29-25(32)27(31(26(29)33)15-12-20-8-10-22(34-2)11-9-20)13-16-30(17-14-27)18-24-28-23(19-35-24)21-6-4-3-5-7-21/h3-11,19H,12-18H2,1-2H3
• InChIKey: GSVQZRYZDZTKAR-UHFFFAOYSA-N
• XLogP: 4.29
• TPSA: 65.98 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.63
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	0
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 1-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 26137327) is 1-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

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

The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is COc1ccc(CCN2C(=O)N(C)C(=O)C23CCN(Cc2nc(-c4ccccc4)cs2)CC3)cc1.

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

The InChIKey is GSVQZRYZDZTKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3S/c1-29-25(32)27(31(26(29)33)15-12-20-8-10-22(34-2)11-9-20)13-16-30(17-14-27)18-24-28-23(19-35-24)21-6-4-3-5-7-21/h3-11,19H,12-18H2,1-2H3.

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

1-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 490.63 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 26137327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).