sodium;(6R)-7-[[2-(5-amino-1,2,4-thiadiazol-3-yl)-2-hydroxyiminoacetyl]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

C17H18N7NaO5S3 — CID 173275222

About sodium;(6R)-7-[[2-(5-amino-1,2,4-thiadiazol-3-yl)-2-hydroxyiminoacetyl]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-(5-amino-1,2,4-thiadiazol-3-yl)-2-hydroxyiminoacetyl]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 173275222) has the molecular formula C17H18N7NaO5S3 and a molecular weight of 519.57 g/mol. Its IUPAC name is sodium;(6R)-7-[[2-(5-amino-1,2,4-thiadiazol-3-yl)-2-hydroxyiminoacetyl]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-(5-amino-1,2,4-thiadiazol-3-yl)-2-hydroxyiminoacetyl]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: 173275222
• Molecular Formula: C17H18N7NaO5S3
• Molecular Weight: 519.57 g/mol
• Exact Mass: 519.04
• IUPAC Name: sodium;(6R)-7-[[2-(5-amino-1,2,4-thiadiazol-3-yl)-2-hydroxyiminoacetyl]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: Cc1ncsc1C=CC1(C(=O)O)CS[C@@H]2C(NC(=O)C(=NO)c3nsc(N)n3)C(=O)N2C1.[H-].[Na+]
• InChI: InChI=1S/C17H17N7O5S3.Na.H/c1-7-8(31-6-19-7)2-3-17(15(27)28)4-24-13(26)10(14(24)30-5-17)20-12(25)9(22-29)11-21-16(18)32-23-11;;/h2-3,6,10,14,29H,4-5H2,1H3,(H,20,25)(H,27,28)(H2,18,21,23);;/q;+1;-1/t10?,14-,17?;;/m1../s1
• InChIKey: WJUDYAHTERAINP-IJVBNIOZSA-N
• XLogP: -2.64
• TPSA: 183.99 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	519.57
LogP ≤ 5	-2.64
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_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-(5-amino-1,2,4-thiadiazol-3-yl)-2-hydroxyiminoacetyl]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-(5-amino-1,2,4-thiadiazol-3-yl)-2-hydroxyiminoacetyl]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 173275222) is sodium;(6R)-7-[[2-(5-amino-1,2,4-thiadiazol-3-yl)-2-hydroxyiminoacetyl]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-(5-amino-1,2,4-thiadiazol-3-yl)-2-hydroxyiminoacetyl]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-(5-amino-1,2,4-thiadiazol-3-yl)-2-hydroxyiminoacetyl]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 Cc1ncsc1C=CC1(C(=O)O)CS[C@@H]2C(NC(=O)C(=NO)c3nsc(N)n3)C(=O)N2C1.[H-].[Na+].

What is the InChIKey of sodium;(6R)-7-[[2-(5-amino-1,2,4-thiadiazol-3-yl)-2-hydroxyiminoacetyl]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 WJUDYAHTERAINP-IJVBNIOZSA-N. The full InChI is InChI=1S/C17H17N7O5S3.Na.H/c1-7-8(31-6-19-7)2-3-17(15(27)28)4-24-13(26)10(14(24)30-5-17)20-12(25)9(22-29)11-21-16(18)32-23-11;;/h2-3,6,10,14,29H,4-5H2,1H3,(H,20,25)(H,27,28)(H2,18,21,23);;/q;+1;-1/t10?,14-,17?;;/m1../s1.

What are the key properties of sodium;(6R)-7-[[2-(5-amino-1,2,4-thiadiazol-3-yl)-2-hydroxyiminoacetyl]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-(5-amino-1,2,4-thiadiazol-3-yl)-2-hydroxyiminoacetyl]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 519.57 g/mol, XLogP of -2.64, 6 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;(6R)-7-[[2-(5-amino-1,2,4-thiadiazol-3-yl)-2-hydroxyiminoacetyl]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 173275222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).