Cyclopentyl 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate

C₁₁H₁₅N₃O₃S — CID 139881164

About Cyclopentyl 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate

Cyclopentyl 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate (PubChem CID 139881164) has the molecular formula C₁₁H₁₅N₃O₃S and a molecular weight of 269.33 g/mol. Its IUPAC name is cyclopentyl 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate.

Molecular Properties

• Compound Name: Cyclopentyl 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate
• PubChem CID: 139881164
• Molecular Formula: C₁₁H₁₅N₃O₃S
• Molecular Weight: 269.33 g/mol
• Exact Mass: 269.08
• IUPAC Name: cyclopentyl 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate
• SMILES: CON=C(C(=O)OC1CCCC1)c1csc(N)n1
• InChI: InChI=1S/C11H15N3O3S/c1-16-14-9(8-6-18-11(12)13-8)10(15)17-7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H2,12,13)
• InChIKey: VVOJSLPQQYBWQO-UHFFFAOYSA-N
• XLogP: 1.56
• TPSA: 86.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	269.33
LogP ≤ 5	1.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

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 Cyclopentyl 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate?

The IUPAC name of Cyclopentyl 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate (CID 139881164) is cyclopentyl 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate.

What is the SMILES notation for Cyclopentyl 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate?

The canonical SMILES for Cyclopentyl 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate is CON=C(C(=O)OC1CCCC1)c1csc(N)n1.

What is the InChIKey of Cyclopentyl 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate?

The InChIKey is VVOJSLPQQYBWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-16-14-9(8-6-18-11(12)13-8)10(15)17-7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H2,12,13).

What are the key properties of Cyclopentyl 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate?

Cyclopentyl 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate has a molecular weight of 269.33 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for Cyclopentyl 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate is sourced from PubChem (CID 139881164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139881164 — identifiers, structure, computed properties (public domain)

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