2-[2-[2-(2-ethoxyphenoxy)ethyl]-1,3-thiazol-4-yl]acetate

C15H16NO4S- — CID 7745513

IUPAC2-[2-[2-(2-ethoxyphenoxy)ethyl]-1,3-thiazol-4-yl]acetate
SMILESCCOc1ccccc1OCCc1nc(CC(=O)[O-])cs1
InChIInChI=1S/C15H17NO4S/c1-2-19-12-5-3-4-6-13(12)20-8-7-14-16-11(10-21-14)9-15(17)18/h3-6,10H,2,7-9H2,1H3,(H,17,18)/p-1
InChIKeyVDNAOKZGRIHTFG-UHFFFAOYSA-M
MW306.36 g/mol
LogP1.46
Rot. Bonds8

About 2-[2-[2-(2-ethoxyphenoxy)ethyl]-1,3-thiazol-4-yl]acetate

2-[2-[2-(2-ethoxyphenoxy)ethyl]-1,3-thiazol-4-yl]acetate (PubChem CID 7745513) has the molecular formula C15H16NO4S- and a molecular weight of 306.36 g/mol. Its IUPAC name is 2-[2-[2-(2-ethoxyphenoxy)ethyl]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Name2-[2-[2-(2-ethoxyphenoxy)ethyl]-1,3-thiazol-4-yl]acetate
PubChem CID7745513
Molecular FormulaC15H16NO4S-
Molecular Weight306.36 g/mol
Exact Mass306.08
IUPAC Name2-[2-[2-(2-ethoxyphenoxy)ethyl]-1,3-thiazol-4-yl]acetate
SMILESCCOc1ccccc1OCCc1nc(CC(=O)[O-])cs1
InChIInChI=1S/C15H17NO4S/c1-2-19-12-5-3-4-6-13(12)20-8-7-14-16-11(10-21-14)9-15(17)18/h3-6,10H,2,7-9H2,1H3,(H,17,18)/p-1
InChIKeyVDNAOKZGRIHTFG-UHFFFAOYSA-M
XLogP1.46
TPSA71.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-[2-(2-ethoxyphenoxy)ethyl]-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

4-(chloromethyl)-2-[2-(2-ethoxyphenoxy)ethyl]-1,3-thiazole
CID 43138224
2-[2-[2-(2-tert-butyl-4-methylphenoxy)ethyl]-1,3-thiazol-4-yl]acetate
CID 7745506
2-[2-[2-(4-chlorophenoxy)ethyl]-1,3-thiazol-4-yl]acetate
CID 7745518
2-[3-(2-ethoxyphenoxy)propyl]-1,3-thiazole-4-carboxylic acid
CID 94760687
N-[[2-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methyl]ethanamine
CID 82193935
2-[2-[(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetate
CID 9158227
1-[2-[2-(2-ethylphenoxy)ethyl]-1,3-thiazol-4-yl]ethanone
CID 82516467
2-[2-[2-[2-(diethylazaniumyl)ethoxy]phenyl]-1,3-thiazol-4-yl]acetate
CID 42232157
N-[[2-[2-(2-ethylphenoxy)ethyl]-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 82516475
[2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine
CID 82104670
2-[2-[2-(2-ethoxyphenoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 94760749
1-[2-[(2-ethoxyphenoxy)methyl]-1,3-thiazol-4-yl]-N-methylmethanamine
CID 82193855

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-ethoxyphenoxy)ethyl]-1,3-thiazol-4-yl]acetate?
The IUPAC name of 2-[2-[2-(2-ethoxyphenoxy)ethyl]-1,3-thiazol-4-yl]acetate (CID 7745513) is 2-[2-[2-(2-ethoxyphenoxy)ethyl]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for 2-[2-[2-(2-ethoxyphenoxy)ethyl]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for 2-[2-[2-(2-ethoxyphenoxy)ethyl]-1,3-thiazol-4-yl]acetate is CCOc1ccccc1OCCc1nc(CC(=O)[O-])cs1.
What is the InChIKey of 2-[2-[2-(2-ethoxyphenoxy)ethyl]-1,3-thiazol-4-yl]acetate?
The InChIKey is VDNAOKZGRIHTFG-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H17NO4S/c1-2-19-12-5-3-4-6-13(12)20-8-7-14-16-11(10-21-14)9-15(17)18/h3-6,10H,2,7-9H2,1H3,(H,17,18)/p-1.
What are the key properties of 2-[2-[2-(2-ethoxyphenoxy)ethyl]-1,3-thiazol-4-yl]acetate?
2-[2-[2-(2-ethoxyphenoxy)ethyl]-1,3-thiazol-4-yl]acetate has a molecular weight of 306.36 g/mol, XLogP of 1.46, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-ethoxyphenoxy)ethyl]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 7745513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).