methyl 2-[[(2S,3R)-2-[4-hydroxy-5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1H-imidazol-3-yl]-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-1,3-thiazole-4-carboxylate

C25H32N4O8S — CID 90741154

About methyl 2-[[(2S,3R)-2-[4-hydroxy-5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1H-imidazol-3-yl]-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-1,3-thiazole-4-carboxylate

methyl 2-[[(2S,3R)-2-[4-hydroxy-5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1H-imidazol-3-yl]-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-1,3-thiazole-4-carboxylate (PubChem CID 90741154) has the molecular formula C25H32N4O8S and a molecular weight of 548.62 g/mol. Its IUPAC name is methyl 2-[[(2S,3R)-2-[4-hydroxy-5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1H-imidazol-3-yl]-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

• Compound Name: methyl 2-[[(2S,3R)-2-[4-hydroxy-5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1H-imidazol-3-yl]-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-1,3-thiazole-4-carboxylate
• PubChem CID: 90741154
• Molecular Formula: C25H32N4O8S
• Molecular Weight: 548.62 g/mol
• Exact Mass: 548.19
• IUPAC Name: methyl 2-[[(2S,3R)-2-[4-hydroxy-5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1H-imidazol-3-yl]-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-1,3-thiazole-4-carboxylate
• SMILES: COCCOc1ccc(-c2[nH]c(=O)n([C@H](C(=O)Nc3nc(C(=O)OC)cs3)[C@@H](C)OC(C)(C)C)c2O)cc1
• InChI: InChI=1S/C25H32N4O8S/c1-14(37-25(2,3)4)19(20(30)28-23-26-17(13-38-23)22(32)35-6)29-21(31)18(27-24(29)33)15-7-9-16(10-8-15)36-12-11-34-5/h7-10,13-14,19,31H,11-12H2,1-6H3,(H,27,33)(H,26,28,30)/t14-,19+/m1/s1
• InChIKey: ZUEUKMALPDVTTE-KUHUBIRLSA-N
• XLogP: 3.20
• TPSA: 154.00 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	548.62
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2S,3R)-2-[4-hydroxy-5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1H-imidazol-3-yl]-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-1,3-thiazole-4-carboxylate?

The IUPAC name of methyl 2-[[(2S,3R)-2-[4-hydroxy-5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1H-imidazol-3-yl]-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-1,3-thiazole-4-carboxylate (CID 90741154) is methyl 2-[[(2S,3R)-2-[4-hydroxy-5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1H-imidazol-3-yl]-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-1,3-thiazole-4-carboxylate.

What is the SMILES notation for methyl 2-[[(2S,3R)-2-[4-hydroxy-5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1H-imidazol-3-yl]-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-1,3-thiazole-4-carboxylate?

The canonical SMILES for methyl 2-[[(2S,3R)-2-[4-hydroxy-5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1H-imidazol-3-yl]-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-1,3-thiazole-4-carboxylate is COCCOc1ccc(-c2[nH]c(=O)n([C@H](C(=O)Nc3nc(C(=O)OC)cs3)[C@@H](C)OC(C)(C)C)c2O)cc1.

What is the InChIKey of methyl 2-[[(2S,3R)-2-[4-hydroxy-5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1H-imidazol-3-yl]-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-1,3-thiazole-4-carboxylate?

The InChIKey is ZUEUKMALPDVTTE-KUHUBIRLSA-N. The full InChI is InChI=1S/C25H32N4O8S/c1-14(37-25(2,3)4)19(20(30)28-23-26-17(13-38-23)22(32)35-6)29-21(31)18(27-24(29)33)15-7-9-16(10-8-15)36-12-11-34-5/h7-10,13-14,19,31H,11-12H2,1-6H3,(H,27,33)(H,26,28,30)/t14-,19+/m1/s1.

What are the key properties of methyl 2-[[(2S,3R)-2-[4-hydroxy-5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1H-imidazol-3-yl]-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-1,3-thiazole-4-carboxylate?

methyl 2-[[(2S,3R)-2-[4-hydroxy-5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1H-imidazol-3-yl]-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-1,3-thiazole-4-carboxylate has a molecular weight of 548.62 g/mol, XLogP of 3.20, 11 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[[(2S,3R)-2-[4-hydroxy-5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1H-imidazol-3-yl]-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 90741154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).