sodium;(6R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-3-carboxylic acid;hydride

C19H21N6NaO5S3 — CID 173386781

About sodium;(6R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-3-carboxylic acid;hydride

sodium;(6R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-3-carboxylic acid;hydride (PubChem CID 173386781) has the molecular formula C19H21N6NaO5S3 and a molecular weight of 532.61 g/mol. Its IUPAC name is sodium;(6R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-3-carboxylic acid;hydride.

Molecular Properties

• Compound Name: sodium;(6R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-3-carboxylic acid;hydride
• PubChem CID: 173386781
• Molecular Formula: C19H21N6NaO5S3
• Molecular Weight: 532.61 g/mol
• Exact Mass: 532.06
• IUPAC Name: sodium;(6R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-3-carboxylic acid;hydride
• SMILES: CON=C(C(=O)NC1C(=O)N2CC(C=Cc3scnc3C)(C(=O)O)CS[C@H]12)c1csc(N)n1.[H-].[Na+]
• InChI: InChI=1S/C19H20N6O5S3.Na.H/c1-9-11(33-8-21-9)3-4-19(17(28)29)6-25-15(27)13(16(25)32-7-19)23-14(26)12(24-30-2)10-5-31-18(20)22-10;;/h3-5,8,13,16H,6-7H2,1-2H3,(H2,20,22)(H,23,26)(H,28,29);;/q;+1;-1/t13?,16-,19?;;/m1../s1
• InChIKey: XPHBWKOBJUSBAO-SZODDWNISA-N
• XLogP: -1.86
• TPSA: 160.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.61
LogP ≤ 5	-1.86
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'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 sodium;(6R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-3-carboxylic acid;hydride?

The IUPAC name of sodium;(6R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-3-carboxylic acid;hydride (CID 173386781) is sodium;(6R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-3-carboxylic acid;hydride.

What is the SMILES notation for sodium;(6R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-3-carboxylic acid;hydride?

The canonical SMILES for sodium;(6R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-3-carboxylic acid;hydride is CON=C(C(=O)NC1C(=O)N2CC(C=Cc3scnc3C)(C(=O)O)CS[C@H]12)c1csc(N)n1.[H-].[Na+].

What is the InChIKey of sodium;(6R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-3-carboxylic acid;hydride?

The InChIKey is XPHBWKOBJUSBAO-SZODDWNISA-N. The full InChI is InChI=1S/C19H20N6O5S3.Na.H/c1-9-11(33-8-21-9)3-4-19(17(28)29)6-25-15(27)13(16(25)32-7-19)23-14(26)12(24-30-2)10-5-31-18(20)22-10;;/h3-5,8,13,16H,6-7H2,1-2H3,(H2,20,22)(H,23,26)(H,28,29);;/q;+1;-1/t13?,16-,19?;;/m1../s1.

What are the key properties of sodium;(6R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-3-carboxylic acid;hydride?

sodium;(6R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-3-carboxylic acid;hydride has a molecular weight of 532.61 g/mol, XLogP of -1.86, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;(6R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-3-carboxylic acid;hydride is sourced from PubChem (CID 173386781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).