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

C14H17N3O3S — CID 102949786

IUPACethyl 2-[2-(6-methoxypyrimidin-4-yl)-1,3-thiazol-4-yl]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)c1csc(-c2cc(OC)ncn2)n1
InChIInChI=1S/C14H17N3O3S/c1-5-20-13(18)14(2,3)10-7-21-12(17-10)9-6-11(19-4)16-8-15-9/h6-8H,5H2,1-4H3
InChIKeyLIKQKVFURHZQOA-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.45
Rot. Bonds5

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

ethyl 2-[2-(6-methoxypyrimidin-4-yl)-1,3-thiazol-4-yl]-2-methylpropanoate (PubChem CID 102949786) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is ethyl 2-[2-(6-methoxypyrimidin-4-yl)-1,3-thiazol-4-yl]-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-[2-(6-methoxypyrimidin-4-yl)-1,3-thiazol-4-yl]-2-methylpropanoate
PubChem CID102949786
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Nameethyl 2-[2-(6-methoxypyrimidin-4-yl)-1,3-thiazol-4-yl]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)c1csc(-c2cc(OC)ncn2)n1
InChIInChI=1S/C14H17N3O3S/c1-5-20-13(18)14(2,3)10-7-21-12(17-10)9-6-11(19-4)16-8-15-9/h6-8H,5H2,1-4H3
InChIKeyLIKQKVFURHZQOA-UHFFFAOYSA-N
XLogP2.45
TPSA74.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[2-(6-methoxy-2-pyridinyl)-1,3-thiazol-4-yl]-2-methylpropanoate
CID 103347819
ethyl 2-methyl-2-[2-(2H-triazol-4-yl)-1,3-thiazol-4-yl]propanoate
CID 113369821
2-(6-methoxypyrimidin-4-yl)-1,3-thiazol-4-ol
CID 130501534
ethyl 2-(2-bromo-1,3-thiazol-4-yl)-2-methylpropanoate
CID 137433439
[2-(6-methoxypyrimidin-4-yl)-1,3-thiazol-4-yl]methanol
CID 102953130
3-[2-(6-methoxypyrimidin-4-yl)-1,3-thiazol-4-yl]propanoic acid
CID 103485597
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
1-[2-(6-methoxypyrimidin-4-yl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 102952552
ethyl 2-[2-[(2-methoxy-2-methylpropyl)amino]-1,3-thiazol-4-yl]-2-methylpropanoate
CID 104766936
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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(6-methoxypyrimidin-4-yl)-1,3-thiazol-4-yl]-2-methylpropanoate?
The IUPAC name of ethyl 2-[2-(6-methoxypyrimidin-4-yl)-1,3-thiazol-4-yl]-2-methylpropanoate (CID 102949786) is ethyl 2-[2-(6-methoxypyrimidin-4-yl)-1,3-thiazol-4-yl]-2-methylpropanoate.
What is the SMILES notation for ethyl 2-[2-(6-methoxypyrimidin-4-yl)-1,3-thiazol-4-yl]-2-methylpropanoate?
The canonical SMILES for ethyl 2-[2-(6-methoxypyrimidin-4-yl)-1,3-thiazol-4-yl]-2-methylpropanoate is CCOC(=O)C(C)(C)c1csc(-c2cc(OC)ncn2)n1.
What is the InChIKey of ethyl 2-[2-(6-methoxypyrimidin-4-yl)-1,3-thiazol-4-yl]-2-methylpropanoate?
The InChIKey is LIKQKVFURHZQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-5-20-13(18)14(2,3)10-7-21-12(17-10)9-6-11(19-4)16-8-15-9/h6-8H,5H2,1-4H3.
What are the key properties of ethyl 2-[2-(6-methoxypyrimidin-4-yl)-1,3-thiazol-4-yl]-2-methylpropanoate?
ethyl 2-[2-(6-methoxypyrimidin-4-yl)-1,3-thiazol-4-yl]-2-methylpropanoate has a molecular weight of 307.38 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(6-methoxypyrimidin-4-yl)-1,3-thiazol-4-yl]-2-methylpropanoate is sourced from PubChem (CID 102949786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).