ethyl (3R)-3-amino-3-[2-(2,6-dimethylphenyl)-1,3-thiazol-4-yl]propanoate

C16H20N2O2S — CID 176789649

IUPACethyl (3R)-3-amino-3-[2-(2,6-dimethylphenyl)-1,3-thiazol-4-yl]propanoate
SMILESCCOC(=O)C[C@@H](N)c1csc(-c2c(C)cccc2C)n1
InChIInChI=1S/C16H20N2O2S/c1-4-20-14(19)8-12(17)13-9-21-16(18-13)15-10(2)6-5-7-11(15)3/h5-7,9,12H,4,8,17H2,1-3H3/t12-/m1/s1
InChIKeyQEBSCHLCPLUOBT-GFCCVEGCSA-N
MW304.42 g/mol
LogP3.38
Rot. Bonds5

About ethyl (3R)-3-amino-3-[2-(2,6-dimethylphenyl)-1,3-thiazol-4-yl]propanoate

ethyl (3R)-3-amino-3-[2-(2,6-dimethylphenyl)-1,3-thiazol-4-yl]propanoate (PubChem CID 176789649) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is ethyl (3R)-3-amino-3-[2-(2,6-dimethylphenyl)-1,3-thiazol-4-yl]propanoate.

Molecular Properties

Compound Nameethyl (3R)-3-amino-3-[2-(2,6-dimethylphenyl)-1,3-thiazol-4-yl]propanoate
PubChem CID176789649
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Nameethyl (3R)-3-amino-3-[2-(2,6-dimethylphenyl)-1,3-thiazol-4-yl]propanoate
SMILESCCOC(=O)C[C@@H](N)c1csc(-c2c(C)cccc2C)n1
InChIInChI=1S/C16H20N2O2S/c1-4-20-14(19)8-12(17)13-9-21-16(18-13)15-10(2)6-5-7-11(15)3/h5-7,9,12H,4,8,17H2,1-3H3/t12-/m1/s1
InChIKeyQEBSCHLCPLUOBT-GFCCVEGCSA-N
XLogP3.38
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl (3R)-3-amino-3-[2-(2,6-dimethylphenyl)-1,3-thiazol-4-yl]propanoate 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 (3S)-3-amino-3-(2-methyl-1,3-thiazol-4-yl)propanoate
CID 104862981
ethyl (3R)-3-hydroxy-3-(2-phenyl-1,3-thiazol-4-yl)propanoate
CID 102139996
ethyl (3S)-3-hydroxy-3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]propanoate
CID 102139994
ethyl 3-amino-3-[5-(2,6-dimethylphenyl)thiophen-2-yl]propanoate
CID 175002555
ethyl 3-amino-3-quinolin-2-ylpropanoate
CID 64955956
ethyl (3R)-3-amino-3-(1,3-thiazol-4-yl)propanoate
CID 104862982
2-amino-2-[2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-yl]acetic acid
CID 104527032
chloromethane;ethyl 3-amino-3-(2-hydroxy-3-methylphenyl)propanoate
CID 142920722
ethyl (3R)-3-amino-3-(2-methylpyrimidin-4-yl)propanoate
CID 115527131
ethyl 2-[2-(2,3-dimethylphenyl)-1,3-thiazol-4-yl]acetate
CID 80573399
ethyl 3-amino-3-[3-(2,6-dimethylphenyl)-5-methylphenyl]propanoate
CID 175002644
ethyl 2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 78908719

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-amino-3-[2-(2,6-dimethylphenyl)-1,3-thiazol-4-yl]propanoate?
The IUPAC name of ethyl (3R)-3-amino-3-[2-(2,6-dimethylphenyl)-1,3-thiazol-4-yl]propanoate (CID 176789649) is ethyl (3R)-3-amino-3-[2-(2,6-dimethylphenyl)-1,3-thiazol-4-yl]propanoate.
What is the SMILES notation for ethyl (3R)-3-amino-3-[2-(2,6-dimethylphenyl)-1,3-thiazol-4-yl]propanoate?
The canonical SMILES for ethyl (3R)-3-amino-3-[2-(2,6-dimethylphenyl)-1,3-thiazol-4-yl]propanoate is CCOC(=O)C[C@@H](N)c1csc(-c2c(C)cccc2C)n1.
What is the InChIKey of ethyl (3R)-3-amino-3-[2-(2,6-dimethylphenyl)-1,3-thiazol-4-yl]propanoate?
The InChIKey is QEBSCHLCPLUOBT-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-4-20-14(19)8-12(17)13-9-21-16(18-13)15-10(2)6-5-7-11(15)3/h5-7,9,12H,4,8,17H2,1-3H3/t12-/m1/s1.
What are the key properties of ethyl (3R)-3-amino-3-[2-(2,6-dimethylphenyl)-1,3-thiazol-4-yl]propanoate?
ethyl (3R)-3-amino-3-[2-(2,6-dimethylphenyl)-1,3-thiazol-4-yl]propanoate has a molecular weight of 304.42 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-amino-3-[2-(2,6-dimethylphenyl)-1,3-thiazol-4-yl]propanoate is sourced from PubChem (CID 176789649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).