2-[(3-hydroxyphenoxy)methyl]-1,3-thiazole-4-carboxylic acid

C11H9NO4S — CID 117187072

IUPAC2-[(3-hydroxyphenoxy)methyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(COc2cccc(O)c2)n1
InChIInChI=1S/C11H9NO4S/c13-7-2-1-3-8(4-7)16-5-10-12-9(6-17-10)11(14)15/h1-4,6,13H,5H2,(H,14,15)
InChIKeyJURSDFGMZVFFHA-UHFFFAOYSA-N
MW251.26 g/mol
LogP2.13
Rot. Bonds4

About 2-[(3-hydroxyphenoxy)methyl]-1,3-thiazole-4-carboxylic acid

2-[(3-hydroxyphenoxy)methyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 117187072) has the molecular formula C11H9NO4S and a molecular weight of 251.26 g/mol. Its IUPAC name is 2-[(3-hydroxyphenoxy)methyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(3-hydroxyphenoxy)methyl]-1,3-thiazole-4-carboxylic acid
PubChem CID117187072
Molecular FormulaC11H9NO4S
Molecular Weight251.26 g/mol
Exact Mass251.03
IUPAC Name2-[(3-hydroxyphenoxy)methyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(COc2cccc(O)c2)n1
InChIInChI=1S/C11H9NO4S/c13-7-2-1-3-8(4-7)16-5-10-12-9(6-17-10)11(14)15/h1-4,6,13H,5H2,(H,14,15)
InChIKeyJURSDFGMZVFFHA-UHFFFAOYSA-N
XLogP2.13
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-bromophenoxy)methyl]-1,3-thiazole-4-carboxylic acid
CID 117187087
1-[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]ethanone
CID 82295832
1-[2-(phenoxymethyl)-1,3-thiazol-4-yl]ethanone
CID 2744803
1-[2-[(3-bromophenoxy)methyl]-1,3-thiazol-4-yl]ethanone
CID 82308939
1-[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanone
CID 82304946
2-[[4-(4-chlorophenyl)phenoxy]methyl]-1,3-thiazole-4-carboxylic acid
CID 11427951
2-[3-(3-methylphenoxy)propyl]-1,3-thiazole-4-carboxylic acid
CID 82054904
5-[(3-hydroxyphenoxy)methyl]-1,2-oxazole-3-carboxylic acid
CID 117216896
2-[(4-isoquinolin-5-ylphenoxy)methyl]-1,3-thiazole-4-carboxylic acid
CID 11545045
2-[[(3-hydroxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66381423
morpholin-4-yl-[2-(phenoxymethyl)-1,3-thiazol-4-yl]methanone
CID 24712645
[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 24712422

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxyphenoxy)methyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[(3-hydroxyphenoxy)methyl]-1,3-thiazole-4-carboxylic acid (CID 117187072) is 2-[(3-hydroxyphenoxy)methyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[(3-hydroxyphenoxy)methyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[(3-hydroxyphenoxy)methyl]-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(COc2cccc(O)c2)n1.
What is the InChIKey of 2-[(3-hydroxyphenoxy)methyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is JURSDFGMZVFFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO4S/c13-7-2-1-3-8(4-7)16-5-10-12-9(6-17-10)11(14)15/h1-4,6,13H,5H2,(H,14,15).
What are the key properties of 2-[(3-hydroxyphenoxy)methyl]-1,3-thiazole-4-carboxylic acid?
2-[(3-hydroxyphenoxy)methyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 251.26 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxyphenoxy)methyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 117187072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).