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

C15H18N2O3S — CID 28857021

IUPACethyl 3-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]propanoate
SMILESCCOC(=O)CCOc1ccc(-c2nc(N)sc2C)cc1
InChIInChI=1S/C15H18N2O3S/c1-3-19-13(18)8-9-20-12-6-4-11(5-7-12)14-10(2)21-15(16)17-14/h4-7H,3,8-9H2,1-2H3,(H2,16,17)
InChIKeyIEJDKZNPJJZKFU-UHFFFAOYSA-N
MW306.39 g/mol
LogP3.03
Rot. Bonds6

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

ethyl 3-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]propanoate (PubChem CID 28857021) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is ethyl 3-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]propanoate.

Molecular Properties

Compound Nameethyl 3-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]propanoate
PubChem CID28857021
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Nameethyl 3-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]propanoate
SMILESCCOC(=O)CCOc1ccc(-c2nc(N)sc2C)cc1
InChIInChI=1S/C15H18N2O3S/c1-3-19-13(18)8-9-20-12-6-4-11(5-7-12)14-10(2)21-15(16)17-14/h4-7H,3,8-9H2,1-2H3,(H2,16,17)
InChIKeyIEJDKZNPJJZKFU-UHFFFAOYSA-N
XLogP3.03
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-[[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]methyl]benzoate
CID 28856993
ethyl 3-[4-(4-bromophenyl)phenoxy]propanoate
CID 43365328
5-methyl-4-[4-[3-(3-methylphenoxy)propoxy]phenyl]-1,3-thiazol-2-amine
CID 28857046
2-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]-1-morpholin-4-ylethanone
CID 28856770
ethyl 3-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenyl]-2,3-dihydroxypropanoate
CID 171867072
ethyl 3-[4-[(E)-2-[4-(3-ethoxy-3-oxopropoxy)phenyl]ethenyl]phenoxy]propanoate
CID 12559678
2-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]-N-benzylacetamide
CID 28856761
3-(4-methoxyphenoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 2388192
propan-2-yl 4-[[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]methyl]benzoate
CID 28856978
ethyl 3-phenoxypropanoate;hydrochloride
CID 172712926
4-(3,4-diethoxyphenyl)-5-methyl-1,3-thiazol-2-amine
CID 43141109
2-amino-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 39177185

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]propanoate?
The IUPAC name of ethyl 3-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]propanoate (CID 28857021) is ethyl 3-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]propanoate.
What is the SMILES notation for ethyl 3-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]propanoate?
The canonical SMILES for ethyl 3-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]propanoate is CCOC(=O)CCOc1ccc(-c2nc(N)sc2C)cc1.
What is the InChIKey of ethyl 3-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]propanoate?
The InChIKey is IEJDKZNPJJZKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-3-19-13(18)8-9-20-12-6-4-11(5-7-12)14-10(2)21-15(16)17-14/h4-7H,3,8-9H2,1-2H3,(H2,16,17).
What are the key properties of ethyl 3-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]propanoate?
ethyl 3-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]propanoate has a molecular weight of 306.39 g/mol, XLogP of 3.03, 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]propanoate is sourced from PubChem (CID 28857021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).