(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(1,5-dihydroxy-4-oxo-2-pyridinyl)methoxyimino]-N-[(2S,3S)-2-methyl-4-oxo-1-(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)azetidin-3-yl]acetamide

C18H21N6O9PS — CID 73388834

About (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(1,5-dihydroxy-4-oxo-2-pyridinyl)methoxyimino]-N-[(2S,3S)-2-methyl-4-oxo-1-(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)azetidin-3-yl]acetamide

(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(1,5-dihydroxy-4-oxo-2-pyridinyl)methoxyimino]-N-[(2S,3S)-2-methyl-4-oxo-1-(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)azetidin-3-yl]acetamide (PubChem CID 73388834) has the molecular formula C18H21N6O9PS and a molecular weight of 528.44 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)-2-methyl-4-oxo-1-(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)azetidin-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-[(2S,3S)-2-methyl-4-oxo-1-(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)azetidin-3-yl]acetamide
• PubChem CID: 73388834
• Molecular Formula: C18H21N6O9PS
• Molecular Weight: 528.44 g/mol
• Exact Mass: 528.08
• IUPAC Name: (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(1,5-dihydroxy-4-oxo-2-pyridinyl)methoxyimino]-N-[(2S,3S)-2-methyl-4-oxo-1-(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)azetidin-3-yl]acetamide
• SMILES: C[C@H]1[C@H](NC(=O)/C(=N\OCc2cc(=O)c(O)cn2O)c2csc(N)n2)C(=O)N1P1(=O)OCCCO1
• InChI: InChI=1S/C18H21N6O9PS/c1-9-14(17(28)24(9)34(30)32-3-2-4-33-34)21-16(27)15(11-8-35-18(19)20-11)22-31-7-10-5-12(25)13(26)6-23(10)29/h5-6,8-9,14,26,29H,2-4,7H2,1H3,(H2,19,20)(H,21,27)/b22-15-/t9-,14-/m0/s1
• InChIKey: AESFCAGMWMPYCI-JVNOZFCASA-N
• XLogP: 0.01
• TPSA: 207.90 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.44
LogP ≤ 5	0.01
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

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': 'phosphor', '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)-2-methyl-4-oxo-1-(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)azetidin-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-[(2S,3S)-2-methyl-4-oxo-1-(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)azetidin-3-yl]acetamide (CID 73388834) is (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(1,5-dihydroxy-4-oxo-2-pyridinyl)methoxyimino]-N-[(2S,3S)-2-methyl-4-oxo-1-(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)azetidin-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-[(2S,3S)-2-methyl-4-oxo-1-(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)azetidin-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-[(2S,3S)-2-methyl-4-oxo-1-(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)azetidin-3-yl]acetamide is C[C@H]1[C@H](NC(=O)/C(=N\OCc2cc(=O)c(O)cn2O)c2csc(N)n2)C(=O)N1P1(=O)OCCCO1.

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)-2-methyl-4-oxo-1-(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)azetidin-3-yl]acetamide?

The InChIKey is AESFCAGMWMPYCI-JVNOZFCASA-N. The full InChI is InChI=1S/C18H21N6O9PS/c1-9-14(17(28)24(9)34(30)32-3-2-4-33-34)21-16(27)15(11-8-35-18(19)20-11)22-31-7-10-5-12(25)13(26)6-23(10)29/h5-6,8-9,14,26,29H,2-4,7H2,1H3,(H2,19,20)(H,21,27)/b22-15-/t9-,14-/m0/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)-2-methyl-4-oxo-1-(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)azetidin-3-yl]acetamide?

(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(1,5-dihydroxy-4-oxo-2-pyridinyl)methoxyimino]-N-[(2S,3S)-2-methyl-4-oxo-1-(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)azetidin-3-yl]acetamide has a molecular weight of 528.44 g/mol, XLogP of 0.01, 7 rotatable bonds, 4 hydrogen bond donors, and 14 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)-2-methyl-4-oxo-1-(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)azetidin-3-yl]acetamide is sourced from PubChem (CID 73388834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).