ethyl 2-[5-amino-2-[2-(1,3-thiazol-2-ylamino)ethoxy]phenoxy]acetate

C15H19N3O4S — CID 59442420

IUPACethyl 2-[5-amino-2-[2-(1,3-thiazol-2-ylamino)ethoxy]phenoxy]acetate
SMILESCCOC(=O)COc1cc(N)ccc1OCCNc1nccs1
InChIInChI=1S/C15H19N3O4S/c1-2-20-14(19)10-22-13-9-11(16)3-4-12(13)21-7-5-17-15-18-6-8-23-15/h3-4,6,8-9H,2,5,7,10,16H2,1H3,(H,17,18)
InChIKeyQGDOAGKUNPDQIZ-UHFFFAOYSA-N
MW337.40 g/mol
LogP2.16
Rot. Bonds9

About ethyl 2-[5-amino-2-[2-(1,3-thiazol-2-ylamino)ethoxy]phenoxy]acetate

ethyl 2-[5-amino-2-[2-(1,3-thiazol-2-ylamino)ethoxy]phenoxy]acetate (PubChem CID 59442420) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is ethyl 2-[5-amino-2-[2-(1,3-thiazol-2-ylamino)ethoxy]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[5-amino-2-[2-(1,3-thiazol-2-ylamino)ethoxy]phenoxy]acetate
PubChem CID59442420
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Nameethyl 2-[5-amino-2-[2-(1,3-thiazol-2-ylamino)ethoxy]phenoxy]acetate
SMILESCCOC(=O)COc1cc(N)ccc1OCCNc1nccs1
InChIInChI=1S/C15H19N3O4S/c1-2-20-14(19)10-22-13-9-11(16)3-4-12(13)21-7-5-17-15-18-6-8-23-15/h3-4,6,8-9H,2,5,7,10,16H2,1H3,(H,17,18)
InChIKeyQGDOAGKUNPDQIZ-UHFFFAOYSA-N
XLogP2.16
TPSA95.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze ethyl 2-[5-amino-2-[2-(1,3-thiazol-2-ylamino)ethoxy]phenoxy]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

ethyl 2-[5-amino-2-[2-(4-methoxyphenoxy)ethoxy]phenoxy]acetate
CID 59442207
4-amino-2-(2-methoxyethoxy)-N-(1,3-thiazol-2-yl)benzamide
CID 86046967
2-[2-ethoxy-4-[(1,3-thiazol-2-ylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66539460
methyl 3-(1,3-thiazol-2-ylamino)propanoate
CID 60658875
ethyl 2-[5-amino-2-[2-(oxan-2-yloxy)ethoxy]phenoxy]acetate
CID 59442440
[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 3,4-diethoxybenzoate
CID 46924909
methyl 2-(5-amino-2-methylphenoxy)acetate
CID 43520245
ethyl 2-[5-amino-2-(oxan-4-yloxy)phenoxy]acetate
CID 59442324
ethane;ethyl 4-(5-amino-2-methylphenoxy)butanoate
CID 143753454
methyl 3-(5-amino-2-methoxyphenoxy)propanoate
CID 63948668
3-ethoxy-4-(2-phenoxyethoxy)-N-(1,3-thiazol-2-yl)benzamide
CID 2472295
2-[4-amino-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenoxy]acetate
CID 86750899

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-amino-2-[2-(1,3-thiazol-2-ylamino)ethoxy]phenoxy]acetate?
The IUPAC name of ethyl 2-[5-amino-2-[2-(1,3-thiazol-2-ylamino)ethoxy]phenoxy]acetate (CID 59442420) is ethyl 2-[5-amino-2-[2-(1,3-thiazol-2-ylamino)ethoxy]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[5-amino-2-[2-(1,3-thiazol-2-ylamino)ethoxy]phenoxy]acetate?
The canonical SMILES for ethyl 2-[5-amino-2-[2-(1,3-thiazol-2-ylamino)ethoxy]phenoxy]acetate is CCOC(=O)COc1cc(N)ccc1OCCNc1nccs1.
What is the InChIKey of ethyl 2-[5-amino-2-[2-(1,3-thiazol-2-ylamino)ethoxy]phenoxy]acetate?
The InChIKey is QGDOAGKUNPDQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-2-20-14(19)10-22-13-9-11(16)3-4-12(13)21-7-5-17-15-18-6-8-23-15/h3-4,6,8-9H,2,5,7,10,16H2,1H3,(H,17,18).
What are the key properties of ethyl 2-[5-amino-2-[2-(1,3-thiazol-2-ylamino)ethoxy]phenoxy]acetate?
ethyl 2-[5-amino-2-[2-(1,3-thiazol-2-ylamino)ethoxy]phenoxy]acetate has a molecular weight of 337.40 g/mol, XLogP of 2.16, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-amino-2-[2-(1,3-thiazol-2-ylamino)ethoxy]phenoxy]acetate is sourced from PubChem (CID 59442420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).