2-[2-(2-methoxyethoxy)ethyl]-5-phenyl-1,3-thiazole-4-carboxylic acid

C15H17NO4S — CID 102927109

IUPAC2-[2-(2-methoxyethoxy)ethyl]-5-phenyl-1,3-thiazole-4-carboxylic acid
SMILESCOCCOCCc1nc(C(=O)O)c(-c2ccccc2)s1
InChIInChI=1S/C15H17NO4S/c1-19-9-10-20-8-7-12-16-13(15(17)18)14(21-12)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,17,18)
InChIKeyJNCQUESTOPZINY-UHFFFAOYSA-N
MW307.37 g/mol
LogP2.71
Rot. Bonds8

About 2-[2-(2-methoxyethoxy)ethyl]-5-phenyl-1,3-thiazole-4-carboxylic acid

2-[2-(2-methoxyethoxy)ethyl]-5-phenyl-1,3-thiazole-4-carboxylic acid (PubChem CID 102927109) has the molecular formula C15H17NO4S and a molecular weight of 307.37 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethyl]-5-phenyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethyl]-5-phenyl-1,3-thiazole-4-carboxylic acid
PubChem CID102927109
Molecular FormulaC15H17NO4S
Molecular Weight307.37 g/mol
Exact Mass307.09
IUPAC Name2-[2-(2-methoxyethoxy)ethyl]-5-phenyl-1,3-thiazole-4-carboxylic acid
SMILESCOCCOCCc1nc(C(=O)O)c(-c2ccccc2)s1
InChIInChI=1S/C15H17NO4S/c1-19-9-10-20-8-7-12-16-13(15(17)18)14(21-12)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,17,18)
InChIKeyJNCQUESTOPZINY-UHFFFAOYSA-N
XLogP2.71
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethyl]-5-phenyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethyl]-5-phenyl-1,3-thiazole-4-carboxylic acid (CID 102927109) is 2-[2-(2-methoxyethoxy)ethyl]-5-phenyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethyl]-5-phenyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethyl]-5-phenyl-1,3-thiazole-4-carboxylic acid is COCCOCCc1nc(C(=O)O)c(-c2ccccc2)s1.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethyl]-5-phenyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is JNCQUESTOPZINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S/c1-19-9-10-20-8-7-12-16-13(15(17)18)14(21-12)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,17,18).
What are the key properties of 2-[2-(2-methoxyethoxy)ethyl]-5-phenyl-1,3-thiazole-4-carboxylic acid?
2-[2-(2-methoxyethoxy)ethyl]-5-phenyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 307.37 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethyl]-5-phenyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 102927109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).