2-[2-[(2,6-dimethylphenoxy)methyl]-1,3-thiazol-5-yl]acetic acid

C14H15NO3S — CID 82422966

IUPAC2-[2-[(2,6-dimethylphenoxy)methyl]-1,3-thiazol-5-yl]acetic acid
SMILESCc1cccc(C)c1OCc1ncc(CC(=O)O)s1
InChIInChI=1S/C14H15NO3S/c1-9-4-3-5-10(2)14(9)18-8-12-15-7-11(19-12)6-13(16)17/h3-5,7H,6,8H2,1-2H3,(H,16,17)
InChIKeyUIHUDNYZKAWWGV-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.97
Rot. Bonds5

About 2-[2-[(2,6-dimethylphenoxy)methyl]-1,3-thiazol-5-yl]acetic acid

2-[2-[(2,6-dimethylphenoxy)methyl]-1,3-thiazol-5-yl]acetic acid (PubChem CID 82422966) has the molecular formula C14H15NO3S and a molecular weight of 277.34 g/mol. Its IUPAC name is 2-[2-[(2,6-dimethylphenoxy)methyl]-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(2,6-dimethylphenoxy)methyl]-1,3-thiazol-5-yl]acetic acid
PubChem CID82422966
Molecular FormulaC14H15NO3S
Molecular Weight277.34 g/mol
Exact Mass277.08
IUPAC Name2-[2-[(2,6-dimethylphenoxy)methyl]-1,3-thiazol-5-yl]acetic acid
SMILESCc1cccc(C)c1OCc1ncc(CC(=O)O)s1
InChIInChI=1S/C14H15NO3S/c1-9-4-3-5-10(2)14(9)18-8-12-15-7-11(19-12)6-13(16)17/h3-5,7H,6,8H2,1-2H3,(H,16,17)
InChIKeyUIHUDNYZKAWWGV-UHFFFAOYSA-N
XLogP2.97
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-5-yl]acetic acid
CID 82424135
[2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanol
CID 82190879
1-[2-[(2,6-dimethylphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 94284215
[2-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
CID 82302885
5-[(2,6-dimethylphenoxy)methyl]-1,3-thiazol-2-amine
CID 79774580
[2-[2-(2,6-dimethylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine
CID 82423935
2-(2-amino-1,3-thiazol-5-yl)acetic acid;methoxymethane
CID 126619372
2-[2-[2-(3-ethylphenoxy)ethyl]-1,3-thiazol-5-yl]acetic acid
CID 82423868
4-[(2,6-dimethylphenoxy)methyl]-2-propyl-1,3-thiazole-5-carboxylic acid
CID 82226948
4-[(2,6-dimethylphenoxy)methyl]-5-methylfuran-2-carboxylic acid
CID 22685434
3-[2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-5-yl]propanoic acid
CID 82422936
[2-[(2-ethylphenoxy)methyl]-1,3-thiazol-5-yl]methanol
CID 82190907

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,6-dimethylphenoxy)methyl]-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-[(2,6-dimethylphenoxy)methyl]-1,3-thiazol-5-yl]acetic acid (CID 82422966) is 2-[2-[(2,6-dimethylphenoxy)methyl]-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-[(2,6-dimethylphenoxy)methyl]-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-[(2,6-dimethylphenoxy)methyl]-1,3-thiazol-5-yl]acetic acid is Cc1cccc(C)c1OCc1ncc(CC(=O)O)s1.
What is the InChIKey of 2-[2-[(2,6-dimethylphenoxy)methyl]-1,3-thiazol-5-yl]acetic acid?
The InChIKey is UIHUDNYZKAWWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-9-4-3-5-10(2)14(9)18-8-12-15-7-11(19-12)6-13(16)17/h3-5,7H,6,8H2,1-2H3,(H,16,17).
What are the key properties of 2-[2-[(2,6-dimethylphenoxy)methyl]-1,3-thiazol-5-yl]acetic acid?
2-[2-[(2,6-dimethylphenoxy)methyl]-1,3-thiazol-5-yl]acetic acid has a molecular weight of 277.34 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,6-dimethylphenoxy)methyl]-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 82422966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).