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

C17H20N6O7S — CID 122674827

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

(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(1,5-dihydroxy-4-oxo-2-pyridinyl)methoxyimino]-N-[(3S)-1-methoxy-2,2-dimethyl-4-oxoazetidin-3-yl]acetamide (PubChem CID 122674827) has the molecular formula C17H20N6O7S and a molecular weight of 452.45 g/mol. Its IUPAC name is (2Z)-2-(2-amino-1,3-thiazol-4-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-(2-amino-1,3-thiazol-4-yl)-2-[(1,5-dihydroxy-4-oxo-2-pyridinyl)methoxyimino]-N-[(3S)-1-methoxy-2,2-dimethyl-4-oxoazetidin-3-yl]acetamide
• PubChem CID: 122674827
• Molecular Formula: C17H20N6O7S
• Molecular Weight: 452.45 g/mol
• Exact Mass: 452.11
• IUPAC Name: (2Z)-2-(2-amino-1,3-thiazol-4-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)c2csc(N)n2)C1(C)C
• InChI: InChI=1S/C17H20N6O7S/c1-17(2)13(15(27)23(17)29-3)20-14(26)12(9-7-31-16(18)19-9)21-30-6-8-4-10(24)11(25)5-22(8)28/h4-5,7,13,25,28H,6H2,1-3H3,(H2,18,19)(H,20,26)/b21-12-/t13-/m1/s1
• InChIKey: VGPIUHSSVHRICO-MUBJSKCLSA-N
• XLogP: -0.58
• TPSA: 181.60 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	452.45
LogP ≤ 5	-0.58
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

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-(2-amino-1,3-thiazol-4-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-(2-amino-1,3-thiazol-4-yl)-2-[(1,5-dihydroxy-4-oxo-2-pyridinyl)methoxyimino]-N-[(3S)-1-methoxy-2,2-dimethyl-4-oxoazetidin-3-yl]acetamide (CID 122674827) is (2Z)-2-(2-amino-1,3-thiazol-4-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-(2-amino-1,3-thiazol-4-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-(2-amino-1,3-thiazol-4-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)c2csc(N)n2)C1(C)C.

What is the InChIKey of (2Z)-2-(2-amino-1,3-thiazol-4-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 VGPIUHSSVHRICO-MUBJSKCLSA-N. The full InChI is InChI=1S/C17H20N6O7S/c1-17(2)13(15(27)23(17)29-3)20-14(26)12(9-7-31-16(18)19-9)21-30-6-8-4-10(24)11(25)5-22(8)28/h4-5,7,13,25,28H,6H2,1-3H3,(H2,18,19)(H,20,26)/b21-12-/t13-/m1/s1.

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

(2Z)-2-(2-amino-1,3-thiazol-4-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 452.45 g/mol, XLogP of -0.58, 7 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-2-(2-amino-1,3-thiazol-4-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 122674827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).