(2Z)-2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-methoxyimino-N-[(2S,3S)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-4-oxoazetidin-3-yl]acetamide

C15H16ClN7O6S — CID 13341829

About (2Z)-2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-methoxyimino-N-[(2S,3S)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-4-oxoazetidin-3-yl]acetamide

(2Z)-2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-methoxyimino-N-[(2S,3S)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-4-oxoazetidin-3-yl]acetamide (PubChem CID 13341829) has the molecular formula C15H16ClN7O6S and a molecular weight of 457.86 g/mol. Its IUPAC name is (2Z)-2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-methoxyimino-N-[(2S,3S)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-4-oxoazetidin-3-yl]acetamide.

Molecular Properties

• Compound Name: (2Z)-2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-methoxyimino-N-[(2S,3S)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-4-oxoazetidin-3-yl]acetamide
• PubChem CID: 13341829
• Molecular Formula: C15H16ClN7O6S
• Molecular Weight: 457.86 g/mol
• Exact Mass: 457.06
• IUPAC Name: (2Z)-2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-methoxyimino-N-[(2S,3S)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-4-oxoazetidin-3-yl]acetamide
• SMILES: CO/N=C(\C(=O)N[C@@H]1C(=O)N[C@H]1N1C(=O)CN(C)C1=O)c1csc(NC(=O)CCl)n1
• InChI: InChI=1S/C15H16ClN7O6S/c1-22-4-8(25)23(15(22)28)11-10(13(27)20-11)19-12(26)9(21-29-2)6-5-30-14(17-6)18-7(24)3-16/h5,10-11H,3-4H2,1-2H3,(H,19,26)(H,20,27)(H,17,18,24)/b21-9-/t10-,11-/m0/s1
• InChIKey: JXMZCGVZVDRCIO-HABURROYSA-N
• XLogP: -1.49
• TPSA: 162.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.86
LogP ≤ 5	-1.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', '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 (2Z)-2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-methoxyimino-N-[(2S,3S)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-4-oxoazetidin-3-yl]acetamide?

The IUPAC name of (2Z)-2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-methoxyimino-N-[(2S,3S)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-4-oxoazetidin-3-yl]acetamide (CID 13341829) is (2Z)-2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-methoxyimino-N-[(2S,3S)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-4-oxoazetidin-3-yl]acetamide.

What is the SMILES notation for (2Z)-2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-methoxyimino-N-[(2S,3S)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-4-oxoazetidin-3-yl]acetamide?

The canonical SMILES for (2Z)-2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-methoxyimino-N-[(2S,3S)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-4-oxoazetidin-3-yl]acetamide is CO/N=C(\C(=O)N[C@@H]1C(=O)N[C@H]1N1C(=O)CN(C)C1=O)c1csc(NC(=O)CCl)n1.

What is the InChIKey of (2Z)-2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-methoxyimino-N-[(2S,3S)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-4-oxoazetidin-3-yl]acetamide?

The InChIKey is JXMZCGVZVDRCIO-HABURROYSA-N. The full InChI is InChI=1S/C15H16ClN7O6S/c1-22-4-8(25)23(15(22)28)11-10(13(27)20-11)19-12(26)9(21-29-2)6-5-30-14(17-6)18-7(24)3-16/h5,10-11H,3-4H2,1-2H3,(H,19,26)(H,20,27)(H,17,18,24)/b21-9-/t10-,11-/m0/s1.

What are the key properties of (2Z)-2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-methoxyimino-N-[(2S,3S)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-4-oxoazetidin-3-yl]acetamide?

(2Z)-2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-methoxyimino-N-[(2S,3S)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-4-oxoazetidin-3-yl]acetamide has a molecular weight of 457.86 g/mol, XLogP of -1.49, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-methoxyimino-N-[(2S,3S)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-4-oxoazetidin-3-yl]acetamide is sourced from PubChem (CID 13341829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).