N-[4-(2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-2-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-1,3-thiazole-4-carboxamide

C27H30N6O4S — CID 59332078

About N-[4-(2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-2-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-1,3-thiazole-4-carboxamide

N-[4-(2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-2-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-1,3-thiazole-4-carboxamide (PubChem CID 59332078) has the molecular formula C27H30N6O4S and a molecular weight of 534.64 g/mol. Its IUPAC name is N-[4-(2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-2-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-(2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-2-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-1,3-thiazole-4-carboxamide
• PubChem CID: 59332078
• Molecular Formula: C27H30N6O4S
• Molecular Weight: 534.64 g/mol
• Exact Mass: 534.20
• IUPAC Name: N-[4-(2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-2-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-1,3-thiazole-4-carboxamide
• SMILES: COCCOc1ccc2c(c1)C(=O)N(c1nc(C(=O)Nc3cnccc3N3CCC4(CC3)CNC4)cs1)C2
• InChI: InChI=1S/C27H30N6O4S/c1-36-10-11-37-19-3-2-18-14-33(25(35)20(18)12-19)26-31-22(15-38-26)24(34)30-21-13-28-7-4-23(21)32-8-5-27(6-9-32)16-29-17-27/h2-4,7,12-13,15,29H,5-6,8-11,14,16-17H2,1H3,(H,30,34)
• InChIKey: CEYVWQKQGMFKML-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 108.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.64
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-2-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-1,3-thiazole-4-carboxamide?

The IUPAC name of N-[4-(2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-2-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-1,3-thiazole-4-carboxamide (CID 59332078) is N-[4-(2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-2-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for N-[4-(2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-2-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-1,3-thiazole-4-carboxamide?

The canonical SMILES for N-[4-(2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-2-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-1,3-thiazole-4-carboxamide is COCCOc1ccc2c(c1)C(=O)N(c1nc(C(=O)Nc3cnccc3N3CCC4(CC3)CNC4)cs1)C2.

What is the InChIKey of N-[4-(2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-2-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-1,3-thiazole-4-carboxamide?

The InChIKey is CEYVWQKQGMFKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O4S/c1-36-10-11-37-19-3-2-18-14-33(25(35)20(18)12-19)26-31-22(15-38-26)24(34)30-21-13-28-7-4-23(21)32-8-5-27(6-9-32)16-29-17-27/h2-4,7,12-13,15,29H,5-6,8-11,14,16-17H2,1H3,(H,30,34).

What are the key properties of N-[4-(2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-2-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-1,3-thiazole-4-carboxamide?

N-[4-(2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-2-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 534.64 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-2-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 59332078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).