[4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-4-methylsulfanyl-3-oxo-1,2-oxazolidin-2-yl] 5-oxooxolane-2-carboxylate

C15H17N5O8S2 — CID 57219880

About [4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-4-methylsulfanyl-3-oxo-1,2-oxazolidin-2-yl] 5-oxooxolane-2-carboxylate

[4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-4-methylsulfanyl-3-oxo-1,2-oxazolidin-2-yl] 5-oxooxolane-2-carboxylate (PubChem CID 57219880) has the molecular formula C15H17N5O8S2 and a molecular weight of 459.46 g/mol. Its IUPAC name is [4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-4-methylsulfanyl-3-oxo-1,2-oxazolidin-2-yl] 5-oxooxolane-2-carboxylate.

Molecular Properties

• Compound Name: [4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-4-methylsulfanyl-3-oxo-1,2-oxazolidin-2-yl] 5-oxooxolane-2-carboxylate
• PubChem CID: 57219880
• Molecular Formula: C15H17N5O8S2
• Molecular Weight: 459.46 g/mol
• Exact Mass: 459.05
• IUPAC Name: [4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-4-methylsulfanyl-3-oxo-1,2-oxazolidin-2-yl] 5-oxooxolane-2-carboxylate
• SMILES: CON=C(C(=O)NC1(SC)CON(OC(=O)C2CCC(=O)O2)C1=O)c1csc(N)n1
• InChI: InChI=1S/C15H17N5O8S2/c1-25-19-10(7-5-30-14(16)17-7)11(22)18-15(29-2)6-26-20(13(15)24)28-12(23)8-3-4-9(21)27-8/h5,8H,3-4,6H2,1-2H3,(H2,16,17)(H,18,22)
• InChIKey: WDAXVAXCPARBLH-UHFFFAOYSA-N
• XLogP: -0.81
• TPSA: 171.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	459.46
LogP ≤ 5	-0.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-4-methylsulfanyl-3-oxo-1,2-oxazolidin-2-yl] 5-oxooxolane-2-carboxylate?

The IUPAC name of [4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-4-methylsulfanyl-3-oxo-1,2-oxazolidin-2-yl] 5-oxooxolane-2-carboxylate (CID 57219880) is [4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-4-methylsulfanyl-3-oxo-1,2-oxazolidin-2-yl] 5-oxooxolane-2-carboxylate.

What is the SMILES notation for [4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-4-methylsulfanyl-3-oxo-1,2-oxazolidin-2-yl] 5-oxooxolane-2-carboxylate?

The canonical SMILES for [4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-4-methylsulfanyl-3-oxo-1,2-oxazolidin-2-yl] 5-oxooxolane-2-carboxylate is CON=C(C(=O)NC1(SC)CON(OC(=O)C2CCC(=O)O2)C1=O)c1csc(N)n1.

What is the InChIKey of [4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-4-methylsulfanyl-3-oxo-1,2-oxazolidin-2-yl] 5-oxooxolane-2-carboxylate?

The InChIKey is WDAXVAXCPARBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O8S2/c1-25-19-10(7-5-30-14(16)17-7)11(22)18-15(29-2)6-26-20(13(15)24)28-12(23)8-3-4-9(21)27-8/h5,8H,3-4,6H2,1-2H3,(H2,16,17)(H,18,22).

What are the key properties of [4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-4-methylsulfanyl-3-oxo-1,2-oxazolidin-2-yl] 5-oxooxolane-2-carboxylate?

[4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-4-methylsulfanyl-3-oxo-1,2-oxazolidin-2-yl] 5-oxooxolane-2-carboxylate has a molecular weight of 459.46 g/mol, XLogP of -0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-4-methylsulfanyl-3-oxo-1,2-oxazolidin-2-yl] 5-oxooxolane-2-carboxylate is sourced from PubChem (CID 57219880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).