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

C12H11NO3S — CID 64717491

IUPAC2-(methoxymethyl)-5-phenyl-1,3-thiazole-4-carboxylic acid
SMILESCOCc1nc(C(=O)O)c(-c2ccccc2)s1
InChIInChI=1S/C12H11NO3S/c1-16-7-9-13-10(12(14)15)11(17-9)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,14,15)
InChIKeyRWWJBFLXONEUEO-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.65
Rot. Bonds4

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

2-(methoxymethyl)-5-phenyl-1,3-thiazole-4-carboxylic acid (PubChem CID 64717491) has the molecular formula C12H11NO3S and a molecular weight of 249.29 g/mol. Its IUPAC name is 2-(methoxymethyl)-5-phenyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(methoxymethyl)-5-phenyl-1,3-thiazole-4-carboxylic acid
PubChem CID64717491
Molecular FormulaC12H11NO3S
Molecular Weight249.29 g/mol
Exact Mass249.05
IUPAC Name2-(methoxymethyl)-5-phenyl-1,3-thiazole-4-carboxylic acid
SMILESCOCc1nc(C(=O)O)c(-c2ccccc2)s1
InChIInChI=1S/C12H11NO3S/c1-16-7-9-13-10(12(14)15)11(17-9)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,14,15)
InChIKeyRWWJBFLXONEUEO-UHFFFAOYSA-N
XLogP2.65
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-5-phenyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(methoxymethyl)-5-phenyl-1,3-thiazole-4-carboxylic acid (CID 64717491) is 2-(methoxymethyl)-5-phenyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(methoxymethyl)-5-phenyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(methoxymethyl)-5-phenyl-1,3-thiazole-4-carboxylic acid is COCc1nc(C(=O)O)c(-c2ccccc2)s1.
What is the InChIKey of 2-(methoxymethyl)-5-phenyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is RWWJBFLXONEUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3S/c1-16-7-9-13-10(12(14)15)11(17-9)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,14,15).
What are the key properties of 2-(methoxymethyl)-5-phenyl-1,3-thiazole-4-carboxylic acid?
2-(methoxymethyl)-5-phenyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 249.29 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-5-phenyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 64717491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).