ethyl 3-[[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]methyl]benzoate

C20H20N2O3S — CID 28856993

IUPACethyl 3-[[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]methyl]benzoate
SMILESCCOC(=O)c1cccc(COc2ccc(-c3nc(N)sc3C)cc2)c1
InChIInChI=1S/C20H20N2O3S/c1-3-24-19(23)16-6-4-5-14(11-16)12-25-17-9-7-15(8-10-17)18-13(2)26-20(21)22-18/h4-11H,3,12H2,1-2H3,(H2,21,22)
InChIKeyIKQZJSGELHDARR-UHFFFAOYSA-N
MW368.46 g/mol
LogP4.46
Rot. Bonds6

About ethyl 3-[[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]methyl]benzoate

ethyl 3-[[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]methyl]benzoate (PubChem CID 28856993) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is ethyl 3-[[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]methyl]benzoate.

Molecular Properties

Compound Nameethyl 3-[[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]methyl]benzoate
PubChem CID28856993
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Nameethyl 3-[[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]methyl]benzoate
SMILESCCOC(=O)c1cccc(COc2ccc(-c3nc(N)sc3C)cc2)c1
InChIInChI=1S/C20H20N2O3S/c1-3-24-19(23)16-6-4-5-14(11-16)12-25-17-9-7-15(8-10-17)18-13(2)26-20(21)22-18/h4-11H,3,12H2,1-2H3,(H2,21,22)
InChIKeyIKQZJSGELHDARR-UHFFFAOYSA-N
XLogP4.46
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

propan-2-yl 4-[[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]methyl]benzoate
CID 28856978
ethyl 3-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]propanoate
CID 28857021
2-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]-N-benzylacetamide
CID 28856761
ethyl 5-[4-[(3-methylphenyl)methoxy]phenyl]-2H-triazole-4-carboxylate
CID 169400384
5-methyl-4-[4-[3-(3-methylphenoxy)propoxy]phenyl]-1,3-thiazol-2-amine
CID 28857046
ethyl 4-[[4-(2-amino-1,3-thiazol-4-yl)phenoxy]methyl]benzoate
CID 28856582
ethyl 3-[(4-acetyl-3-cyanophenoxy)methyl]benzoate
CID 91863706
3-[(4-ethoxyphenoxy)methyl]benzohydrazide
CID 840785
ethyl 3-(aminomethyl)benzoate
CID 15079215
3-[(4-ethylphenoxy)methyl]benzoic acid
CID 891200
3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]benzamide
CID 55631453
ethyl 3-[(2-amino-2-methylpropoxy)methyl]benzoate
CID 82353225

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]methyl]benzoate?
The IUPAC name of ethyl 3-[[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]methyl]benzoate (CID 28856993) is ethyl 3-[[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]methyl]benzoate.
What is the SMILES notation for ethyl 3-[[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]methyl]benzoate?
The canonical SMILES for ethyl 3-[[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]methyl]benzoate is CCOC(=O)c1cccc(COc2ccc(-c3nc(N)sc3C)cc2)c1.
What is the InChIKey of ethyl 3-[[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]methyl]benzoate?
The InChIKey is IKQZJSGELHDARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-3-24-19(23)16-6-4-5-14(11-16)12-25-17-9-7-15(8-10-17)18-13(2)26-20(21)22-18/h4-11H,3,12H2,1-2H3,(H2,21,22).
What are the key properties of ethyl 3-[[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]methyl]benzoate?
ethyl 3-[[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]methyl]benzoate has a molecular weight of 368.46 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]methyl]benzoate is sourced from PubChem (CID 28856993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).