N-(2-methoxyphenyl)-6-[(2-phenyl-1,3-thiazol-5-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide

C25H27N3O2S — CID 45242725

About N-(2-methoxyphenyl)-6-[(2-phenyl-1,3-thiazol-5-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide

N-(2-methoxyphenyl)-6-[(2-phenyl-1,3-thiazol-5-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 45242725) has the molecular formula C25H27N3O2S and a molecular weight of 433.58 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-6-[(2-phenyl-1,3-thiazol-5-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

• Compound Name: N-(2-methoxyphenyl)-6-[(2-phenyl-1,3-thiazol-5-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
• PubChem CID: 45242725
• Molecular Formula: C25H27N3O2S
• Molecular Weight: 433.58 g/mol
• Exact Mass: 433.18
• IUPAC Name: N-(2-methoxyphenyl)-6-[(2-phenyl-1,3-thiazol-5-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
• SMILES: COc1ccccc1NC(=O)C1CC12CCN(Cc1cnc(-c3ccccc3)s1)CC2
• InChI: InChI=1S/C25H27N3O2S/c1-30-22-10-6-5-9-21(22)27-23(29)20-15-25(20)11-13-28(14-12-25)17-19-16-26-24(31-19)18-7-3-2-4-8-18/h2-10,16,20H,11-15,17H2,1H3,(H,27,29)
• InChIKey: WDLWSGGDXWFATL-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.58
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-6-[(2-phenyl-1,3-thiazol-5-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?

The IUPAC name of N-(2-methoxyphenyl)-6-[(2-phenyl-1,3-thiazol-5-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide (CID 45242725) is N-(2-methoxyphenyl)-6-[(2-phenyl-1,3-thiazol-5-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide.

What is the SMILES notation for N-(2-methoxyphenyl)-6-[(2-phenyl-1,3-thiazol-5-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?

The canonical SMILES for N-(2-methoxyphenyl)-6-[(2-phenyl-1,3-thiazol-5-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide is COc1ccccc1NC(=O)C1CC12CCN(Cc1cnc(-c3ccccc3)s1)CC2.

What is the InChIKey of N-(2-methoxyphenyl)-6-[(2-phenyl-1,3-thiazol-5-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?

The InChIKey is WDLWSGGDXWFATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2S/c1-30-22-10-6-5-9-21(22)27-23(29)20-15-25(20)11-13-28(14-12-25)17-19-16-26-24(31-19)18-7-3-2-4-8-18/h2-10,16,20H,11-15,17H2,1H3,(H,27,29).

What are the key properties of N-(2-methoxyphenyl)-6-[(2-phenyl-1,3-thiazol-5-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?

N-(2-methoxyphenyl)-6-[(2-phenyl-1,3-thiazol-5-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 433.58 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxyphenyl)-6-[(2-phenyl-1,3-thiazol-5-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 45242725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).