(2Z)-2-(2-amino-1,3-thiazol-4-yl)-N-[(6R,7R)-2-[(Z)-N'-hydrazinylcarbamimidoyl]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-2-methoxyiminoacetamide

C14H19N9O3S2 — CID 144731037

About (2Z)-2-(2-amino-1,3-thiazol-4-yl)-N-[(6R,7R)-2-[(Z)-N'-hydrazinylcarbamimidoyl]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-2-methoxyiminoacetamide

(2Z)-2-(2-amino-1,3-thiazol-4-yl)-N-[(6R,7R)-2-[(Z)-N'-hydrazinylcarbamimidoyl]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-2-methoxyiminoacetamide (PubChem CID 144731037) has the molecular formula C14H19N9O3S2 and a molecular weight of 425.50 g/mol. Its IUPAC name is (2Z)-2-(2-amino-1,3-thiazol-4-yl)-N-[(6R,7R)-2-[(Z)-N'-hydrazinylcarbamimidoyl]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-2-methoxyiminoacetamide.

Molecular Properties

• Compound Name: (2Z)-2-(2-amino-1,3-thiazol-4-yl)-N-[(6R,7R)-2-[(Z)-N'-hydrazinylcarbamimidoyl]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-2-methoxyiminoacetamide
• PubChem CID: 144731037
• Molecular Formula: C14H19N9O3S2
• Molecular Weight: 425.50 g/mol
• Exact Mass: 425.11
• IUPAC Name: (2Z)-2-(2-amino-1,3-thiazol-4-yl)-N-[(6R,7R)-2-[(Z)-N'-hydrazinylcarbamimidoyl]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-2-methoxyiminoacetamide
• SMILES: CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(/C(N)=N/NN)=C(C)CS[C@H]12)c1csc(N)n1
• InChI: InChI=1S/C14H19N9O3S2/c1-5-3-27-13-8(12(25)23(13)9(5)10(15)20-22-17)19-11(24)7(21-26-2)6-4-28-14(16)18-6/h4,8,13,22H,3,17H2,1-2H3,(H2,15,20)(H2,16,18)(H,19,24)/b21-7-/t8-,13-/m1/s1
• InChIKey: FWFBNCKNNDVXPQ-TZOIXAHNSA-N
• XLogP: -1.51
• TPSA: 186.34 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	425.50
LogP ≤ 5	-1.51
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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-(2-amino-1,3-thiazol-4-yl)-N-[(6R,7R)-2-[(Z)-N'-hydrazinylcarbamimidoyl]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-2-methoxyiminoacetamide?

The IUPAC name of (2Z)-2-(2-amino-1,3-thiazol-4-yl)-N-[(6R,7R)-2-[(Z)-N'-hydrazinylcarbamimidoyl]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-2-methoxyiminoacetamide (CID 144731037) is (2Z)-2-(2-amino-1,3-thiazol-4-yl)-N-[(6R,7R)-2-[(Z)-N'-hydrazinylcarbamimidoyl]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-2-methoxyiminoacetamide.

What is the SMILES notation for (2Z)-2-(2-amino-1,3-thiazol-4-yl)-N-[(6R,7R)-2-[(Z)-N'-hydrazinylcarbamimidoyl]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-2-methoxyiminoacetamide?

The canonical SMILES for (2Z)-2-(2-amino-1,3-thiazol-4-yl)-N-[(6R,7R)-2-[(Z)-N'-hydrazinylcarbamimidoyl]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-2-methoxyiminoacetamide is CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(/C(N)=N/NN)=C(C)CS[C@H]12)c1csc(N)n1.

What is the InChIKey of (2Z)-2-(2-amino-1,3-thiazol-4-yl)-N-[(6R,7R)-2-[(Z)-N'-hydrazinylcarbamimidoyl]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-2-methoxyiminoacetamide?

The InChIKey is FWFBNCKNNDVXPQ-TZOIXAHNSA-N. The full InChI is InChI=1S/C14H19N9O3S2/c1-5-3-27-13-8(12(25)23(13)9(5)10(15)20-22-17)19-11(24)7(21-26-2)6-4-28-14(16)18-6/h4,8,13,22H,3,17H2,1-2H3,(H2,15,20)(H2,16,18)(H,19,24)/b21-7-/t8-,13-/m1/s1.

What are the key properties of (2Z)-2-(2-amino-1,3-thiazol-4-yl)-N-[(6R,7R)-2-[(Z)-N'-hydrazinylcarbamimidoyl]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-2-methoxyiminoacetamide?

(2Z)-2-(2-amino-1,3-thiazol-4-yl)-N-[(6R,7R)-2-[(Z)-N'-hydrazinylcarbamimidoyl]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-2-methoxyiminoacetamide has a molecular weight of 425.50 g/mol, XLogP of -1.51, 6 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-2-(2-amino-1,3-thiazol-4-yl)-N-[(6R,7R)-2-[(Z)-N'-hydrazinylcarbamimidoyl]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-2-methoxyiminoacetamide is sourced from PubChem (CID 144731037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).