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

C14H15NO3S — CID 82226825

IUPAC4-benzyl-2-(2-methoxyethyl)-1,3-thiazole-5-carboxylic acid
SMILESCOCCc1nc(Cc2ccccc2)c(C(=O)O)s1
InChIInChI=1S/C14H15NO3S/c1-18-8-7-12-15-11(13(19-12)14(16)17)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,16,17)
InChIKeyGGEQAOQZYRSPJY-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.62
Rot. Bonds6

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

4-benzyl-2-(2-methoxyethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 82226825) has the molecular formula C14H15NO3S and a molecular weight of 277.34 g/mol. Its IUPAC name is 4-benzyl-2-(2-methoxyethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-benzyl-2-(2-methoxyethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID82226825
Molecular FormulaC14H15NO3S
Molecular Weight277.34 g/mol
Exact Mass277.08
IUPAC Name4-benzyl-2-(2-methoxyethyl)-1,3-thiazole-5-carboxylic acid
SMILESCOCCc1nc(Cc2ccccc2)c(C(=O)O)s1
InChIInChI=1S/C14H15NO3S/c1-18-8-7-12-15-11(13(19-12)14(16)17)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,16,17)
InChIKeyGGEQAOQZYRSPJY-UHFFFAOYSA-N
XLogP2.62
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-(2-methoxyethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-benzyl-2-(2-methoxyethyl)-1,3-thiazole-5-carboxylic acid (CID 82226825) is 4-benzyl-2-(2-methoxyethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-benzyl-2-(2-methoxyethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-benzyl-2-(2-methoxyethyl)-1,3-thiazole-5-carboxylic acid is COCCc1nc(Cc2ccccc2)c(C(=O)O)s1.
What is the InChIKey of 4-benzyl-2-(2-methoxyethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is GGEQAOQZYRSPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-18-8-7-12-15-11(13(19-12)14(16)17)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,16,17).
What are the key properties of 4-benzyl-2-(2-methoxyethyl)-1,3-thiazole-5-carboxylic acid?
4-benzyl-2-(2-methoxyethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 277.34 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-(2-methoxyethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82226825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).