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

C33H37N11O16S3 — CID 172965771

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

(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(1,5-dihydroxy-4-oxo-2-pyridinyl)methoxyimino]-N-[(2S,3S)-1,2-dimethyl-4-oxoazetidin-3-yl]acetamide;[(3S)-3-[[(2Z)-2-[(1,5-dihydroxy-4-oxo-2-pyridinyl)methoxyimino]-2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate (PubChem CID 172965771) has the molecular formula C33H37N11O16S3 and a molecular weight of 939.92 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-[(2S,3S)-1,2-dimethyl-4-oxoazetidin-3-yl]acetamide;[(3S)-3-[[(2Z)-2-[(1,5-dihydroxy-4-oxo-2-pyridinyl)methoxyimino]-2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate.

Molecular Properties

• Compound Name: (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(1,5-dihydroxy-4-oxo-2-pyridinyl)methoxyimino]-N-[(2S,3S)-1,2-dimethyl-4-oxoazetidin-3-yl]acetamide;[(3S)-3-[[(2Z)-2-[(1,5-dihydroxy-4-oxo-2-pyridinyl)methoxyimino]-2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate
• PubChem CID: 172965771
• Molecular Formula: C33H37N11O16S3
• Molecular Weight: 939.92 g/mol
• Exact Mass: 939.16
• IUPAC Name: (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(1,5-dihydroxy-4-oxo-2-pyridinyl)methoxyimino]-N-[(2S,3S)-1,2-dimethyl-4-oxoazetidin-3-yl]acetamide;[(3S)-3-[[(2Z)-2-[(1,5-dihydroxy-4-oxo-2-pyridinyl)methoxyimino]-2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate
• SMILES: C[C@H]1[C@H](NC(=O)/C(=N\OCc2cc(=O)c(O)cn2O)c2csc(N)n2)C(=O)N1C.Cc1nc(/C(=N/OCc2cc(=O)c(O)cn2O)C(=O)N[C@@H]2C(=O)N(OS(=O)(=O)O)C2(C)C)cs1
• InChI: InChI=1S/C17H19N5O10S2.C16H18N6O6S/c1-8-18-10(7-33-8)13(20-31-6-9-4-11(23)12(24)5-21(9)27)15(25)19-14-16(26)22(17(14,2)3)32-34(28,29)30;1-7-12(15(26)21(7)2)19-14(25)13(9-6-29-16(17)18-9)20-28-5-8-3-10(23)11(24)4-22(8)27/h4-5,7,14,24,27H,6H2,1-3H3,(H,19,25)(H,28,29,30);3-4,6-7,12,24,27H,5H2,1-2H3,(H2,17,18)(H,19,25)/b2*20-13-/t14-;7-,12-/m10/s1
• InChIKey: BYDXGUUGLCJMOH-KDAGMAKZSA-N
• XLogP: -1.59
• TPSA: 382.32 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 14
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	939.92
LogP ≤ 5	-1.59
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

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'}, {'alert_name': 'Sulfonic_acid_2', '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-[(2S,3S)-1,2-dimethyl-4-oxoazetidin-3-yl]acetamide;[(3S)-3-[[(2Z)-2-[(1,5-dihydroxy-4-oxo-2-pyridinyl)methoxyimino]-2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate?

The IUPAC name of (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(1,5-dihydroxy-4-oxo-2-pyridinyl)methoxyimino]-N-[(2S,3S)-1,2-dimethyl-4-oxoazetidin-3-yl]acetamide;[(3S)-3-[[(2Z)-2-[(1,5-dihydroxy-4-oxo-2-pyridinyl)methoxyimino]-2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate (CID 172965771) is (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(1,5-dihydroxy-4-oxo-2-pyridinyl)methoxyimino]-N-[(2S,3S)-1,2-dimethyl-4-oxoazetidin-3-yl]acetamide;[(3S)-3-[[(2Z)-2-[(1,5-dihydroxy-4-oxo-2-pyridinyl)methoxyimino]-2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate.

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-[(2S,3S)-1,2-dimethyl-4-oxoazetidin-3-yl]acetamide;[(3S)-3-[[(2Z)-2-[(1,5-dihydroxy-4-oxo-2-pyridinyl)methoxyimino]-2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate?

The canonical SMILES for (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(1,5-dihydroxy-4-oxo-2-pyridinyl)methoxyimino]-N-[(2S,3S)-1,2-dimethyl-4-oxoazetidin-3-yl]acetamide;[(3S)-3-[[(2Z)-2-[(1,5-dihydroxy-4-oxo-2-pyridinyl)methoxyimino]-2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate is C[C@H]1[C@H](NC(=O)/C(=N\OCc2cc(=O)c(O)cn2O)c2csc(N)n2)C(=O)N1C.Cc1nc(/C(=N/OCc2cc(=O)c(O)cn2O)C(=O)N[C@@H]2C(=O)N(OS(=O)(=O)O)C2(C)C)cs1.

What is the InChIKey of (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(1,5-dihydroxy-4-oxo-2-pyridinyl)methoxyimino]-N-[(2S,3S)-1,2-dimethyl-4-oxoazetidin-3-yl]acetamide;[(3S)-3-[[(2Z)-2-[(1,5-dihydroxy-4-oxo-2-pyridinyl)methoxyimino]-2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate?

The InChIKey is BYDXGUUGLCJMOH-KDAGMAKZSA-N. The full InChI is InChI=1S/C17H19N5O10S2.C16H18N6O6S/c1-8-18-10(7-33-8)13(20-31-6-9-4-11(23)12(24)5-21(9)27)15(25)19-14-16(26)22(17(14,2)3)32-34(28,29)30;1-7-12(15(26)21(7)2)19-14(25)13(9-6-29-16(17)18-9)20-28-5-8-3-10(23)11(24)4-22(8)27/h4-5,7,14,24,27H,6H2,1-3H3,(H,19,25)(H,28,29,30);3-4,6-7,12,24,27H,5H2,1-2H3,(H2,17,18)(H,19,25)/b2*20-13-/t14-;7-,12-/m10/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-[(2S,3S)-1,2-dimethyl-4-oxoazetidin-3-yl]acetamide;[(3S)-3-[[(2Z)-2-[(1,5-dihydroxy-4-oxo-2-pyridinyl)methoxyimino]-2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate?

(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(1,5-dihydroxy-4-oxo-2-pyridinyl)methoxyimino]-N-[(2S,3S)-1,2-dimethyl-4-oxoazetidin-3-yl]acetamide;[(3S)-3-[[(2Z)-2-[(1,5-dihydroxy-4-oxo-2-pyridinyl)methoxyimino]-2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate has a molecular weight of 939.92 g/mol, XLogP of -1.59, 14 rotatable bonds, 8 hydrogen bond donors, and 24 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-[(2S,3S)-1,2-dimethyl-4-oxoazetidin-3-yl]acetamide;[(3S)-3-[[(2Z)-2-[(1,5-dihydroxy-4-oxo-2-pyridinyl)methoxyimino]-2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate is sourced from PubChem (CID 172965771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).