(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-[(1,5-dihydroxy-4-oxo-2-pyridinyl)methoxyimino]-N-[(3S)-1-methoxy-2,2-dimethyl-4-oxoazetidin-3-yl]acetamide

C16H19N7O7S — CID 122674824

About (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-[(1,5-dihydroxy-4-oxo-2-pyridinyl)methoxyimino]-N-[(3S)-1-methoxy-2,2-dimethyl-4-oxoazetidin-3-yl]acetamide

(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-[(1,5-dihydroxy-4-oxo-2-pyridinyl)methoxyimino]-N-[(3S)-1-methoxy-2,2-dimethyl-4-oxoazetidin-3-yl]acetamide (PubChem CID 122674824) has the molecular formula C16H19N7O7S and a molecular weight of 453.44 g/mol. Its IUPAC name is (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-[(1,5-dihydroxy-4-oxo-2-pyridinyl)methoxyimino]-N-[(3S)-1-methoxy-2,2-dimethyl-4-oxoazetidin-3-yl]acetamide.

Molecular Properties

• Compound Name: (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-[(1,5-dihydroxy-4-oxo-2-pyridinyl)methoxyimino]-N-[(3S)-1-methoxy-2,2-dimethyl-4-oxoazetidin-3-yl]acetamide
• PubChem CID: 122674824
• Molecular Formula: C16H19N7O7S
• Molecular Weight: 453.44 g/mol
• Exact Mass: 453.11
• IUPAC Name: (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-[(1,5-dihydroxy-4-oxo-2-pyridinyl)methoxyimino]-N-[(3S)-1-methoxy-2,2-dimethyl-4-oxoazetidin-3-yl]acetamide
• SMILES: CON1C(=O)[C@@H](NC(=O)/C(=N\OCc2cc(=O)c(O)cn2O)c2nsc(N)n2)C1(C)C
• InChI: InChI=1S/C16H19N7O7S/c1-16(2)11(14(27)23(16)29-3)18-13(26)10(12-19-15(17)31-21-12)20-30-6-7-4-8(24)9(25)5-22(7)28/h4-5,11,25,28H,6H2,1-3H3,(H,18,26)(H2,17,19,21)/b20-10-/t11-/m1/s1
• InChIKey: AEPKQULCROLCSG-BPXUPMHTSA-N
• XLogP: -1.19
• TPSA: 194.49 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	453.44
LogP ≤ 5	-1.19
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-[(1,5-dihydroxy-4-oxo-2-pyridinyl)methoxyimino]-N-[(3S)-1-methoxy-2,2-dimethyl-4-oxoazetidin-3-yl]acetamide?

The IUPAC name of (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-[(1,5-dihydroxy-4-oxo-2-pyridinyl)methoxyimino]-N-[(3S)-1-methoxy-2,2-dimethyl-4-oxoazetidin-3-yl]acetamide (CID 122674824) is (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-[(1,5-dihydroxy-4-oxo-2-pyridinyl)methoxyimino]-N-[(3S)-1-methoxy-2,2-dimethyl-4-oxoazetidin-3-yl]acetamide.

What is the SMILES notation for (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-[(1,5-dihydroxy-4-oxo-2-pyridinyl)methoxyimino]-N-[(3S)-1-methoxy-2,2-dimethyl-4-oxoazetidin-3-yl]acetamide?

The canonical SMILES for (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-[(1,5-dihydroxy-4-oxo-2-pyridinyl)methoxyimino]-N-[(3S)-1-methoxy-2,2-dimethyl-4-oxoazetidin-3-yl]acetamide is CON1C(=O)[C@@H](NC(=O)/C(=N\OCc2cc(=O)c(O)cn2O)c2nsc(N)n2)C1(C)C.

What is the InChIKey of (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-[(1,5-dihydroxy-4-oxo-2-pyridinyl)methoxyimino]-N-[(3S)-1-methoxy-2,2-dimethyl-4-oxoazetidin-3-yl]acetamide?

The InChIKey is AEPKQULCROLCSG-BPXUPMHTSA-N. The full InChI is InChI=1S/C16H19N7O7S/c1-16(2)11(14(27)23(16)29-3)18-13(26)10(12-19-15(17)31-21-12)20-30-6-7-4-8(24)9(25)5-22(7)28/h4-5,11,25,28H,6H2,1-3H3,(H,18,26)(H2,17,19,21)/b20-10-/t11-/m1/s1.

What are the key properties of (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-[(1,5-dihydroxy-4-oxo-2-pyridinyl)methoxyimino]-N-[(3S)-1-methoxy-2,2-dimethyl-4-oxoazetidin-3-yl]acetamide?

(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-[(1,5-dihydroxy-4-oxo-2-pyridinyl)methoxyimino]-N-[(3S)-1-methoxy-2,2-dimethyl-4-oxoazetidin-3-yl]acetamide has a molecular weight of 453.44 g/mol, XLogP of -1.19, 7 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-[(1,5-dihydroxy-4-oxo-2-pyridinyl)methoxyimino]-N-[(3S)-1-methoxy-2,2-dimethyl-4-oxoazetidin-3-yl]acetamide is sourced from PubChem (CID 122674824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).