2-[2-[2-(3,4-dimethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetate

C15H14NO4S- — CID 9159506

IUPAC2-[2-[2-(3,4-dimethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetate
SMILESCc1ccc(OCC(=O)c2nc(CC(=O)[O-])cs2)cc1C
InChIInChI=1S/C15H15NO4S/c1-9-3-4-12(5-10(9)2)20-7-13(17)15-16-11(8-21-15)6-14(18)19/h3-5,8H,6-7H2,1-2H3,(H,18,19)/p-1
InChIKeyDFKBPIHGQBXZMI-UHFFFAOYSA-M
MW304.35 g/mol
LogP1.31
Rot. Bonds6

About 2-[2-[2-(3,4-dimethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetate

2-[2-[2-(3,4-dimethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetate (PubChem CID 9159506) has the molecular formula C15H14NO4S- and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-[2-[2-(3,4-dimethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Name2-[2-[2-(3,4-dimethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetate
PubChem CID9159506
Molecular FormulaC15H14NO4S-
Molecular Weight304.35 g/mol
Exact Mass304.06
IUPAC Name2-[2-[2-(3,4-dimethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetate
SMILESCc1ccc(OCC(=O)c2nc(CC(=O)[O-])cs2)cc1C
InChIInChI=1S/C15H15NO4S/c1-9-3-4-12(5-10(9)2)20-7-13(17)15-16-11(8-21-15)6-14(18)19/h3-5,8H,6-7H2,1-2H3,(H,18,19)/p-1
InChIKeyDFKBPIHGQBXZMI-UHFFFAOYSA-M
XLogP1.31
TPSA79.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-[2-(3,4-dimethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]-1,3-thiazol-4-yl]acetate
CID 9159564
2-[2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]acetate
CID 7745392
2-[2-[2-(4-chloro-3-methylphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid
CID 9159664
2-[2-[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]-1,3-thiazol-4-yl]acetate
CID 9159606
2-[2-[2-(3,5-dimethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid
CID 9159485
2-[2-[2-(2,5-dimethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid
CID 9159498
4-[(3,4-dimethylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 63575479
2-[2-[2-(4-ethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid
CID 9159479
2-[2-[2-(2-tert-butyl-4-ethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetate
CID 9159576
2-[2-(4-methylphenoxy)acetyl]-1,3-thiazole-4-carboxylate
CID 9159253
ethyl 2-[2-[2-[4-(4-methylpentan-2-yl)phenoxy]acetyl]-1,3-thiazol-4-yl]acetate
CID 155133220
2-[2-[2-(3-methyl-4-propan-2-ylphenoxy)ethylamino]-1,3-thiazol-4-yl]acetate
CID 9155815

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(3,4-dimethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetate?
The IUPAC name of 2-[2-[2-(3,4-dimethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetate (CID 9159506) is 2-[2-[2-(3,4-dimethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for 2-[2-[2-(3,4-dimethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for 2-[2-[2-(3,4-dimethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetate is Cc1ccc(OCC(=O)c2nc(CC(=O)[O-])cs2)cc1C.
What is the InChIKey of 2-[2-[2-(3,4-dimethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetate?
The InChIKey is DFKBPIHGQBXZMI-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H15NO4S/c1-9-3-4-12(5-10(9)2)20-7-13(17)15-16-11(8-21-15)6-14(18)19/h3-5,8H,6-7H2,1-2H3,(H,18,19)/p-1.
What are the key properties of 2-[2-[2-(3,4-dimethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetate?
2-[2-[2-(3,4-dimethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetate has a molecular weight of 304.35 g/mol, XLogP of 1.31, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(3,4-dimethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 9159506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).