2-[2-[2-(3,5-dimethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid

C15H15NO4S — CID 9159485

IUPAC2-[2-[2-(3,5-dimethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid
SMILESCc1cc(C)cc(OCC(=O)c2nc(CC(=O)O)cs2)c1
InChIInChI=1S/C15H15NO4S/c1-9-3-10(2)5-12(4-9)20-7-13(17)15-16-11(8-21-15)6-14(18)19/h3-5,8H,6-7H2,1-2H3,(H,18,19)
InChIKeyJJMUCJCIDMSNAD-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.65
Rot. Bonds6

About 2-[2-[2-(3,5-dimethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid

2-[2-[2-(3,5-dimethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid (PubChem CID 9159485) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-[2-[2-(3,5-dimethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[2-(3,5-dimethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid
PubChem CID9159485
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Name2-[2-[2-(3,5-dimethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid
SMILESCc1cc(C)cc(OCC(=O)c2nc(CC(=O)O)cs2)c1
InChIInChI=1S/C15H15NO4S/c1-9-3-10(2)5-12(4-9)20-7-13(17)15-16-11(8-21-15)6-14(18)19/h3-5,8H,6-7H2,1-2H3,(H,18,19)
InChIKeyJJMUCJCIDMSNAD-UHFFFAOYSA-N
XLogP2.65
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[2-(4-chloro-3-methylphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid
CID 9159664
2-[2-[2-(2,5-dimethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid
CID 9159498
2-[2-[2-(4-ethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid
CID 9159479
2-[2-[2-(2-tert-butyl-4-methylphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid
CID 9159594
2-[2-[2-(2-ethoxyphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid
CID 9159640
2-[2-[2-(3,4-dimethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetate
CID 9159506
2-[2-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]-1,3-thiazol-4-yl]acetate
CID 9159564
2-[2-[(3,5-dimethylphenoxy)methyl]-1,3-oxazol-4-yl]acetic acid
CID 82133006
2-[2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazol-4-yl]acetic acid
CID 66917505
ethyl 2-[2-(2-methoxyacetyl)-1,3-thiazol-4-yl]acetate
CID 155133197
ethyl 2-[2-[2-[4-(4-methylpentan-2-yl)phenoxy]acetyl]-1,3-thiazol-4-yl]acetate
CID 155133220
2-[2-(2-methylprop-1-enyl)-1,3-thiazol-4-yl]acetic acid
CID 82670514

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(3,5-dimethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[2-(3,5-dimethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid (CID 9159485) is 2-[2-[2-(3,5-dimethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[2-(3,5-dimethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[2-(3,5-dimethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid is Cc1cc(C)cc(OCC(=O)c2nc(CC(=O)O)cs2)c1.
What is the InChIKey of 2-[2-[2-(3,5-dimethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is JJMUCJCIDMSNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-9-3-10(2)5-12(4-9)20-7-13(17)15-16-11(8-21-15)6-14(18)19/h3-5,8H,6-7H2,1-2H3,(H,18,19).
What are the key properties of 2-[2-[2-(3,5-dimethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid?
2-[2-[2-(3,5-dimethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 305.36 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(3,5-dimethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 9159485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).