Cefetamet

C₁₄H₁₅N₅O₅S₂ — CID 5487888

About Cefetamet

Cefetamet (PubChem CID 5487888) has the molecular formula C₁₄H₁₅N₅O₅S₂ and a molecular weight of 397.44 g/mol. Its IUPAC name is (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.

Molecular Properties

• Compound Name: Cefetamet
• PubChem CID: 5487888
• Molecular Formula: C₁₄H₁₅N₅O₅S₂
• Molecular Weight: 397.44 g/mol
• Exact Mass: 397.05
• IUPAC Name: (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
• SMILES: CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(C)CS[C@H]12)c1csc(N)n1
• InChI: InChI=1S/C14H15N5O5S2/c1-5-3-25-12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24-2)6-4-26-14(15)16-6/h4,8,12H,3H2,1-2H3,(H2,15,16)(H,17,20)(H,22,23)/b18-7-/t8-,12-/m1/s1
• InChIKey: MQLRYUCJDNBWMV-GHXIOONMSA-N
• XLogP: -0.17
• TPSA: 147.21 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.44
LogP ≤ 5	-0.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

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 Cefetamet?

The IUPAC name of Cefetamet (CID 5487888) is (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.

What is the SMILES notation for Cefetamet?

The canonical SMILES for Cefetamet is CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(C)CS[C@H]12)c1csc(N)n1.

What is the InChIKey of Cefetamet?

The InChIKey is MQLRYUCJDNBWMV-GHXIOONMSA-N. The full InChI is InChI=1S/C14H15N5O5S2/c1-5-3-25-12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24-2)6-4-26-14(15)16-6/h4,8,12H,3H2,1-2H3,(H2,15,16)(H,17,20)(H,22,23)/b18-7-/t8-,12-/m1/s1.

What are the key properties of Cefetamet?

Cefetamet has a molecular weight of 397.44 g/mol, XLogP of -0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for Cefetamet is sourced from PubChem (CID 5487888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5487888 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 3074 — approved-drug record (CC BY-SA 4.0)

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