2-(2-methoxyethoxy)-1,3-thiazole-5-carboxylic acid;2-methoxyethyl 2-(2-methoxyethoxy)-1,3-thiazole-5-carboxylate

C₁₇H₂₄N₂O₉S₂ — CID 162148824

About 2-(2-methoxyethoxy)-1,3-thiazole-5-carboxylic acid;2-methoxyethyl 2-(2-methoxyethoxy)-1,3-thiazole-5-carboxylate

2-(2-methoxyethoxy)-1,3-thiazole-5-carboxylic acid;2-methoxyethyl 2-(2-methoxyethoxy)-1,3-thiazole-5-carboxylate (PubChem CID 162148824) has the molecular formula C₁₇H₂₄N₂O₉S₂ and a molecular weight of 464.52 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-1,3-thiazole-5-carboxylic acid;2-methoxyethyl 2-(2-methoxyethoxy)-1,3-thiazole-5-carboxylate.

Molecular Properties

• Compound Name: 2-(2-methoxyethoxy)-1,3-thiazole-5-carboxylic acid;2-methoxyethyl 2-(2-methoxyethoxy)-1,3-thiazole-5-carboxylate
• PubChem CID: 162148824
• Molecular Formula: C₁₇H₂₄N₂O₉S₂
• Molecular Weight: 464.52 g/mol
• Exact Mass: 464.09
• IUPAC Name: 2-(2-methoxyethoxy)-1,3-thiazole-5-carboxylic acid;2-methoxyethyl 2-(2-methoxyethoxy)-1,3-thiazole-5-carboxylate
• SMILES: COCCOC(=O)c1cnc(OCCOC)s1.COCCOc1ncc(C(=O)O)s1
• InChI: InChI=1S/C10H15NO5S.C7H9NO4S/c1-13-3-5-15-9(12)8-7-11-10(17-8)16-6-4-14-2;1-11-2-3-12-7-8-4-5(13-7)6(9)10/h7H,3-6H2,1-2H3;4H,2-3H2,1H3,(H,9,10)
• InChIKey: ZKXOHFVAKNRAGQ-UHFFFAOYSA-N
• XLogP: 1.84
• TPSA: 135.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.52
LogP ≤ 5	1.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-1,3-thiazole-5-carboxylic acid;2-methoxyethyl 2-(2-methoxyethoxy)-1,3-thiazole-5-carboxylate?

The IUPAC name of 2-(2-methoxyethoxy)-1,3-thiazole-5-carboxylic acid;2-methoxyethyl 2-(2-methoxyethoxy)-1,3-thiazole-5-carboxylate (CID 162148824) is 2-(2-methoxyethoxy)-1,3-thiazole-5-carboxylic acid;2-methoxyethyl 2-(2-methoxyethoxy)-1,3-thiazole-5-carboxylate.

What is the SMILES notation for 2-(2-methoxyethoxy)-1,3-thiazole-5-carboxylic acid;2-methoxyethyl 2-(2-methoxyethoxy)-1,3-thiazole-5-carboxylate?

The canonical SMILES for 2-(2-methoxyethoxy)-1,3-thiazole-5-carboxylic acid;2-methoxyethyl 2-(2-methoxyethoxy)-1,3-thiazole-5-carboxylate is COCCOC(=O)c1cnc(OCCOC)s1.COCCOc1ncc(C(=O)O)s1.

What is the InChIKey of 2-(2-methoxyethoxy)-1,3-thiazole-5-carboxylic acid;2-methoxyethyl 2-(2-methoxyethoxy)-1,3-thiazole-5-carboxylate?

The InChIKey is ZKXOHFVAKNRAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5S.C7H9NO4S/c1-13-3-5-15-9(12)8-7-11-10(17-8)16-6-4-14-2;1-11-2-3-12-7-8-4-5(13-7)6(9)10/h7H,3-6H2,1-2H3;4H,2-3H2,1H3,(H,9,10).

What are the key properties of 2-(2-methoxyethoxy)-1,3-thiazole-5-carboxylic acid;2-methoxyethyl 2-(2-methoxyethoxy)-1,3-thiazole-5-carboxylate?

2-(2-methoxyethoxy)-1,3-thiazole-5-carboxylic acid;2-methoxyethyl 2-(2-methoxyethoxy)-1,3-thiazole-5-carboxylate has a molecular weight of 464.52 g/mol, XLogP of 1.84, 13 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methoxyethoxy)-1,3-thiazole-5-carboxylic acid;2-methoxyethyl 2-(2-methoxyethoxy)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 162148824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 162148824 — identifiers, structure, computed properties (public domain)

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