ethyl 2-[2-(6-methoxy-2-pyridinyl)-1,3-thiazol-4-yl]-2-methylpropanoate

C15H18N2O3S — CID 103347819

IUPACethyl 2-[2-(6-methoxy-2-pyridinyl)-1,3-thiazol-4-yl]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)c1csc(-c2cccc(OC)n2)n1
InChIInChI=1S/C15H18N2O3S/c1-5-20-14(18)15(2,3)11-9-21-13(17-11)10-7-6-8-12(16-10)19-4/h6-9H,5H2,1-4H3
InChIKeyWCDMEDLLVFWFRN-UHFFFAOYSA-N
MW306.39 g/mol
LogP3.05
Rot. Bonds5

About ethyl 2-[2-(6-methoxy-2-pyridinyl)-1,3-thiazol-4-yl]-2-methylpropanoate

ethyl 2-[2-(6-methoxy-2-pyridinyl)-1,3-thiazol-4-yl]-2-methylpropanoate (PubChem CID 103347819) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is ethyl 2-[2-(6-methoxy-2-pyridinyl)-1,3-thiazol-4-yl]-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-[2-(6-methoxy-2-pyridinyl)-1,3-thiazol-4-yl]-2-methylpropanoate
PubChem CID103347819
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Nameethyl 2-[2-(6-methoxy-2-pyridinyl)-1,3-thiazol-4-yl]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)c1csc(-c2cccc(OC)n2)n1
InChIInChI=1S/C15H18N2O3S/c1-5-20-14(18)15(2,3)11-9-21-13(17-11)10-7-6-8-12(16-10)19-4/h6-9H,5H2,1-4H3
InChIKeyWCDMEDLLVFWFRN-UHFFFAOYSA-N
XLogP3.05
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[2-(6-methoxypyrimidin-4-yl)-1,3-thiazol-4-yl]-2-methylpropanoate
CID 102949786
ethyl 2-methyl-2-[2-(2H-triazol-4-yl)-1,3-thiazol-4-yl]propanoate
CID 113369821
ethyl 2-(2-bromo-1,3-thiazol-4-yl)-2-methylpropanoate
CID 137433439
ethyl 2-[2-(1-ethylpyrazol-4-yl)-1,3-thiazol-4-yl]-2-methylpropanoate
CID 103570052
ethyl 2-[2-(3-fluoro-4-hydroxyphenyl)-1,3-thiazol-4-yl]-2-methylpropanoate
CID 136813601
ethyl 2-[2-[(2-methoxy-2-methylpropyl)amino]-1,3-thiazol-4-yl]-2-methylpropanoate
CID 104766936
ethyl 3-[6-[4-(cyclobutylmethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-2,2-dimethylpropanoate
CID 121301957
ethyl 2-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-4-yl]-2-methylpropanoate
CID 113369946
ethyl 2-methyl-2-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]propanoate
CID 103473378
methyl 2-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanoate
CID 116890129
ethyl 2-methyl-2-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1,3-thiazol-4-yl]propanoate
CID 106411445
2-[2-(3-ethoxyphenyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 94707671

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(6-methoxy-2-pyridinyl)-1,3-thiazol-4-yl]-2-methylpropanoate?
The IUPAC name of ethyl 2-[2-(6-methoxy-2-pyridinyl)-1,3-thiazol-4-yl]-2-methylpropanoate (CID 103347819) is ethyl 2-[2-(6-methoxy-2-pyridinyl)-1,3-thiazol-4-yl]-2-methylpropanoate.
What is the SMILES notation for ethyl 2-[2-(6-methoxy-2-pyridinyl)-1,3-thiazol-4-yl]-2-methylpropanoate?
The canonical SMILES for ethyl 2-[2-(6-methoxy-2-pyridinyl)-1,3-thiazol-4-yl]-2-methylpropanoate is CCOC(=O)C(C)(C)c1csc(-c2cccc(OC)n2)n1.
What is the InChIKey of ethyl 2-[2-(6-methoxy-2-pyridinyl)-1,3-thiazol-4-yl]-2-methylpropanoate?
The InChIKey is WCDMEDLLVFWFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-5-20-14(18)15(2,3)11-9-21-13(17-11)10-7-6-8-12(16-10)19-4/h6-9H,5H2,1-4H3.
What are the key properties of ethyl 2-[2-(6-methoxy-2-pyridinyl)-1,3-thiazol-4-yl]-2-methylpropanoate?
ethyl 2-[2-(6-methoxy-2-pyridinyl)-1,3-thiazol-4-yl]-2-methylpropanoate has a molecular weight of 306.39 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(6-methoxy-2-pyridinyl)-1,3-thiazol-4-yl]-2-methylpropanoate is sourced from PubChem (CID 103347819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).