ethyl 4-[[4-(2-amino-1,3-thiazol-4-yl)phenoxy]methyl]benzoate

C19H18N2O3S — CID 28856582

IUPACethyl 4-[[4-(2-amino-1,3-thiazol-4-yl)phenoxy]methyl]benzoate
SMILESCCOC(=O)c1ccc(COc2ccc(-c3csc(N)n3)cc2)cc1
InChIInChI=1S/C19H18N2O3S/c1-2-23-18(22)15-5-3-13(4-6-15)11-24-16-9-7-14(8-10-16)17-12-25-19(20)21-17/h3-10,12H,2,11H2,1H3,(H2,20,21)
InChIKeyYUHBDVCYPYFZGG-UHFFFAOYSA-N
MW354.43 g/mol
LogP4.15
Rot. Bonds6

About ethyl 4-[[4-(2-amino-1,3-thiazol-4-yl)phenoxy]methyl]benzoate

ethyl 4-[[4-(2-amino-1,3-thiazol-4-yl)phenoxy]methyl]benzoate (PubChem CID 28856582) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is ethyl 4-[[4-(2-amino-1,3-thiazol-4-yl)phenoxy]methyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[[4-(2-amino-1,3-thiazol-4-yl)phenoxy]methyl]benzoate
PubChem CID28856582
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Nameethyl 4-[[4-(2-amino-1,3-thiazol-4-yl)phenoxy]methyl]benzoate
SMILESCCOC(=O)c1ccc(COc2ccc(-c3csc(N)n3)cc2)cc1
InChIInChI=1S/C19H18N2O3S/c1-2-23-18(22)15-5-3-13(4-6-15)11-24-16-9-7-14(8-10-16)17-12-25-19(20)21-17/h3-10,12H,2,11H2,1H3,(H2,20,21)
InChIKeyYUHBDVCYPYFZGG-UHFFFAOYSA-N
XLogP4.15
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[[4-(2-amino-1,3-thiazol-4-yl)phenoxy]methyl]benzoate 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 4-[(4-aminophenoxy)methyl]benzoate
CID 39109130
4-[4-[(4-nitrophenyl)methoxy]phenyl]-1,3-thiazol-2-amine
CID 2801363
methyl 4-(2-amino-1,3-thiazol-4-yl)benzoate
CID 2060012
2-methyl-4-(4-phenylmethoxyphenyl)-1,3-thiazole
CID 132533720
ethyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 58095622
2-[4-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(4-ethoxyphenyl)acetamide
CID 28856284
propan-2-yl 4-[[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]methyl]benzoate
CID 28856978
4-[[4-[4-[(4-heptan-4-ylphenyl)methoxy]phenyl]-1,3-thiazol-2-yl]methoxy]benzoic acid
CID 58655576
ethyl 3-[[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]methyl]benzoate
CID 28856993
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-(methoxymethyl)benzoate
CID 7488704
ethyl 4-(4-hydroxyphenyl)-1,3-thiazole-2-carboxylate
CID 175364490
ethyl 4-[2-[2-[2-(4-methylphenoxy)acetyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 4932618

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-(2-amino-1,3-thiazol-4-yl)phenoxy]methyl]benzoate?
The IUPAC name of ethyl 4-[[4-(2-amino-1,3-thiazol-4-yl)phenoxy]methyl]benzoate (CID 28856582) is ethyl 4-[[4-(2-amino-1,3-thiazol-4-yl)phenoxy]methyl]benzoate.
What is the SMILES notation for ethyl 4-[[4-(2-amino-1,3-thiazol-4-yl)phenoxy]methyl]benzoate?
The canonical SMILES for ethyl 4-[[4-(2-amino-1,3-thiazol-4-yl)phenoxy]methyl]benzoate is CCOC(=O)c1ccc(COc2ccc(-c3csc(N)n3)cc2)cc1.
What is the InChIKey of ethyl 4-[[4-(2-amino-1,3-thiazol-4-yl)phenoxy]methyl]benzoate?
The InChIKey is YUHBDVCYPYFZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-2-23-18(22)15-5-3-13(4-6-15)11-24-16-9-7-14(8-10-16)17-12-25-19(20)21-17/h3-10,12H,2,11H2,1H3,(H2,20,21).
What are the key properties of ethyl 4-[[4-(2-amino-1,3-thiazol-4-yl)phenoxy]methyl]benzoate?
ethyl 4-[[4-(2-amino-1,3-thiazol-4-yl)phenoxy]methyl]benzoate has a molecular weight of 354.43 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-(2-amino-1,3-thiazol-4-yl)phenoxy]methyl]benzoate is sourced from PubChem (CID 28856582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).