2-(1-methoxyethyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid

C₉H₁₃NO₄S — CID 114360098

About 2-(1-methoxyethyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid

2-(1-methoxyethyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 114360098) has the molecular formula C₉H₁₃NO₄S and a molecular weight of 231.27 g/mol. Its IUPAC name is 2-(1-methoxyethyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

• Compound Name: 2-(1-methoxyethyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
• PubChem CID: 114360098
• Molecular Formula: C₉H₁₃NO₄S
• Molecular Weight: 231.27 g/mol
• Exact Mass: 231.06
• IUPAC Name: 2-(1-methoxyethyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
• SMILES: COCc1nc(C(C)OC)sc1C(=O)O
• InChI: InChI=1S/C9H13NO4S/c1-5(14-3)8-10-6(4-13-2)7(15-8)9(11)12/h5H,4H2,1-3H3,(H,11,12)
• InChIKey: FQTBWXIKAGEHAQ-UHFFFAOYSA-N
• XLogP: 1.70
• TPSA: 68.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	231.27
LogP ≤ 5	1.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxyethyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid?

The IUPAC name of 2-(1-methoxyethyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid (CID 114360098) is 2-(1-methoxyethyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid.

What is the SMILES notation for 2-(1-methoxyethyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid?

The canonical SMILES for 2-(1-methoxyethyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid is COCc1nc(C(C)OC)sc1C(=O)O.

What is the InChIKey of 2-(1-methoxyethyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid?

The InChIKey is FQTBWXIKAGEHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4S/c1-5(14-3)8-10-6(4-13-2)7(15-8)9(11)12/h5H,4H2,1-3H3,(H,11,12).

What are the key properties of 2-(1-methoxyethyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid?

2-(1-methoxyethyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 231.27 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-methoxyethyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 114360098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 114360098 — identifiers, structure, computed properties (public domain)

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