sodium 2-[(4S)-4-[[2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate

C14H13ClN5NaO8S — CID 173368628

About sodium 2-[(4S)-4-[[2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate

sodium 2-[(4S)-4-[[2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate (PubChem CID 173368628) has the molecular formula C14H13ClN5NaO8S and a molecular weight of 469.80 g/mol. Its IUPAC name is sodium 2-[(4S)-4-[[2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate.

Molecular Properties

• Compound Name: sodium 2-[(4S)-4-[[2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate
• PubChem CID: 173368628
• Molecular Formula: C14H13ClN5NaO8S
• Molecular Weight: 469.80 g/mol
• Exact Mass: 469.01
• IUPAC Name: sodium 2-[(4S)-4-[[2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate
• SMILES: CON=C(C(=O)N[C@H]1CON(C2(C(=O)[O-])CCC(=O)O2)C1=O)c1nc(N)sc1Cl.[Na+]
• InChI: InChI=1S/C14H14ClN5O8S.Na/c1-26-19-8(7-9(15)29-13(16)18-7)10(22)17-5-4-27-20(11(5)23)14(12(24)25)3-2-6(21)28-14;/h5H,2-4H2,1H3,(H2,16,18)(H,17,22)(H,24,25);/q;+1/p-1/t5-,14?;/m0./s1
• InChIKey: KFZJZOQSCQTDCQ-TWYRXZMDSA-M
• XLogP: -5.22
• TPSA: 185.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.80
LogP ≤ 5	-5.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

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 2-[(4S)-4-[[2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate?

The IUPAC name of sodium 2-[(4S)-4-[[2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate (CID 173368628) is sodium 2-[(4S)-4-[[2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate.

What is the SMILES notation for sodium 2-[(4S)-4-[[2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate?

The canonical SMILES for sodium 2-[(4S)-4-[[2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate is CON=C(C(=O)N[C@H]1CON(C2(C(=O)[O-])CCC(=O)O2)C1=O)c1nc(N)sc1Cl.[Na+].

What is the InChIKey of sodium 2-[(4S)-4-[[2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate?

The InChIKey is KFZJZOQSCQTDCQ-TWYRXZMDSA-M. The full InChI is InChI=1S/C14H14ClN5O8S.Na/c1-26-19-8(7-9(15)29-13(16)18-7)10(22)17-5-4-27-20(11(5)23)14(12(24)25)3-2-6(21)28-14;/h5H,2-4H2,1H3,(H2,16,18)(H,17,22)(H,24,25);/q;+1/p-1/t5-,14?;/m0./s1.

What are the key properties of sodium 2-[(4S)-4-[[2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate?

sodium 2-[(4S)-4-[[2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate has a molecular weight of 469.80 g/mol, XLogP of -5.22, 6 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for sodium 2-[(4S)-4-[[2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate is sourced from PubChem (CID 173368628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).