(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)-N-[(6R,7R)-2-methyl-3-[(E)-[methyl(piperidine-1-carboximidoyl)hydrazinylidene]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]acetamide

C20H27FN10O3S2 — CID 58723243

About (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)-N-[(6R,7R)-2-methyl-3-[(E)-[methyl(piperidine-1-carboximidoyl)hydrazinylidene]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]acetamide

(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)-N-[(6R,7R)-2-methyl-3-[(E)-[methyl(piperidine-1-carboximidoyl)hydrazinylidene]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]acetamide (PubChem CID 58723243) has the molecular formula C20H27FN10O3S2 and a molecular weight of 538.64 g/mol. Its IUPAC name is (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)-N-[(6R,7R)-2-methyl-3-[(E)-[methyl(piperidine-1-carboximidoyl)hydrazinylidene]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]acetamide.

Molecular Properties

• Compound Name: (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)-N-[(6R,7R)-2-methyl-3-[(E)-[methyl(piperidine-1-carboximidoyl)hydrazinylidene]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]acetamide
• PubChem CID: 58723243
• Molecular Formula: C20H27FN10O3S2
• Molecular Weight: 538.64 g/mol
• Exact Mass: 538.17
• IUPAC Name: (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)-N-[(6R,7R)-2-methyl-3-[(E)-[methyl(piperidine-1-carboximidoyl)hydrazinylidene]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]acetamide
• SMILES: [H]/N=C(\N1CCCCC1)N(C)/N=C/C1=C(C)N2C(=O)[C@@H](NC(=O)/C(=N\OCF)c3nsc(N)n3)[C@H]2SC1
• InChI: InChI=1S/C20H27FN10O3S2/c1-11-12(8-24-29(2)20(23)30-6-4-3-5-7-30)9-35-18-14(17(33)31(11)18)25-16(32)13(27-34-10-21)15-26-19(22)36-28-15/h8,14,18,23H,3-7,9-10H2,1-2H3,(H,25,32)(H2,22,26,28)/b23-20-,24-8+,27-13-/t14-,18-/m1/s1
• InChIKey: GXTAPLIECYUJND-DCWPREDKSA-N
• XLogP: 0.78
• TPSA: 165.49 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	538.64
LogP ≤ 5	0.78
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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-(fluoromethoxyimino)-N-[(6R,7R)-2-methyl-3-[(E)-[methyl(piperidine-1-carboximidoyl)hydrazinylidene]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]acetamide?

The IUPAC name of (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)-N-[(6R,7R)-2-methyl-3-[(E)-[methyl(piperidine-1-carboximidoyl)hydrazinylidene]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]acetamide (CID 58723243) is (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)-N-[(6R,7R)-2-methyl-3-[(E)-[methyl(piperidine-1-carboximidoyl)hydrazinylidene]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]acetamide.

What is the SMILES notation for (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)-N-[(6R,7R)-2-methyl-3-[(E)-[methyl(piperidine-1-carboximidoyl)hydrazinylidene]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]acetamide?

The canonical SMILES for (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)-N-[(6R,7R)-2-methyl-3-[(E)-[methyl(piperidine-1-carboximidoyl)hydrazinylidene]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]acetamide is [H]/N=C(\N1CCCCC1)N(C)/N=C/C1=C(C)N2C(=O)[C@@H](NC(=O)/C(=N\OCF)c3nsc(N)n3)[C@H]2SC1.

What is the InChIKey of (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)-N-[(6R,7R)-2-methyl-3-[(E)-[methyl(piperidine-1-carboximidoyl)hydrazinylidene]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]acetamide?

The InChIKey is GXTAPLIECYUJND-DCWPREDKSA-N. The full InChI is InChI=1S/C20H27FN10O3S2/c1-11-12(8-24-29(2)20(23)30-6-4-3-5-7-30)9-35-18-14(17(33)31(11)18)25-16(32)13(27-34-10-21)15-26-19(22)36-28-15/h8,14,18,23H,3-7,9-10H2,1-2H3,(H,25,32)(H2,22,26,28)/b23-20-,24-8+,27-13-/t14-,18-/m1/s1.

What are the key properties of (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)-N-[(6R,7R)-2-methyl-3-[(E)-[methyl(piperidine-1-carboximidoyl)hydrazinylidene]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]acetamide?

(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)-N-[(6R,7R)-2-methyl-3-[(E)-[methyl(piperidine-1-carboximidoyl)hydrazinylidene]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]acetamide has a molecular weight of 538.64 g/mol, XLogP of 0.78, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)-N-[(6R,7R)-2-methyl-3-[(E)-[methyl(piperidine-1-carboximidoyl)hydrazinylidene]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]acetamide is sourced from PubChem (CID 58723243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).