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

C19H26FN11O3S2 — CID 58723242

About (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)-N-[(6R,7R)-2-methyl-3-[(E)-[methyl(piperazine-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(piperazine-1-carboximidoyl)hydrazinylidene]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]acetamide (PubChem CID 58723242) has the molecular formula C19H26FN11O3S2 and a molecular weight of 539.62 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(piperazine-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(piperazine-1-carboximidoyl)hydrazinylidene]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]acetamide
• PubChem CID: 58723242
• Molecular Formula: C19H26FN11O3S2
• Molecular Weight: 539.62 g/mol
• Exact Mass: 539.16
• IUPAC Name: (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)-N-[(6R,7R)-2-methyl-3-[(E)-[methyl(piperazine-1-carboximidoyl)hydrazinylidene]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]acetamide
• SMILES: [H]/N=C(\N1CCNCC1)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/C19H26FN11O3S2/c1-10-11(7-24-29(2)19(22)30-5-3-23-4-6-30)8-35-17-13(16(33)31(10)17)25-15(32)12(27-34-9-20)14-26-18(21)36-28-14/h7,13,17,22-23H,3-6,8-9H2,1-2H3,(H,25,32)(H2,21,26,28)/b22-19-,24-7+,27-12-/t13-,17-/m1/s1
• InChIKey: MRJOPOPUZWWRHB-QHHCKEAASA-N
• XLogP: -0.80
• TPSA: 177.52 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	539.62
LogP ≤ 5	-0.80
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

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(piperazine-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(piperazine-1-carboximidoyl)hydrazinylidene]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]acetamide (CID 58723242) is (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)-N-[(6R,7R)-2-methyl-3-[(E)-[methyl(piperazine-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(piperazine-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(piperazine-1-carboximidoyl)hydrazinylidene]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]acetamide is [H]/N=C(\N1CCNCC1)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(piperazine-1-carboximidoyl)hydrazinylidene]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]acetamide?

The InChIKey is MRJOPOPUZWWRHB-QHHCKEAASA-N. The full InChI is InChI=1S/C19H26FN11O3S2/c1-10-11(7-24-29(2)19(22)30-5-3-23-4-6-30)8-35-17-13(16(33)31(10)17)25-15(32)12(27-34-9-20)14-26-18(21)36-28-14/h7,13,17,22-23H,3-6,8-9H2,1-2H3,(H,25,32)(H2,21,26,28)/b22-19-,24-7+,27-12-/t13-,17-/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(piperazine-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(piperazine-1-carboximidoyl)hydrazinylidene]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]acetamide has a molecular weight of 539.62 g/mol, XLogP of -0.80, 7 rotatable bonds, 4 hydrogen bond donors, and 12 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(piperazine-1-carboximidoyl)hydrazinylidene]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]acetamide is sourced from PubChem (CID 58723242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).