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

C14H19N3O2S — CID 103570052

IUPACethyl 2-[2-(1-ethylpyrazol-4-yl)-1,3-thiazol-4-yl]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)c1csc(-c2cnn(CC)c2)n1
InChIInChI=1S/C14H19N3O2S/c1-5-17-8-10(7-15-17)12-16-11(9-20-12)14(3,4)13(18)19-6-2/h7-9H,5-6H2,1-4H3
InChIKeyBNHLDALYTSKDMS-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.87
Rot. Bonds5

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

ethyl 2-[2-(1-ethylpyrazol-4-yl)-1,3-thiazol-4-yl]-2-methylpropanoate (PubChem CID 103570052) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is ethyl 2-[2-(1-ethylpyrazol-4-yl)-1,3-thiazol-4-yl]-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-[2-(1-ethylpyrazol-4-yl)-1,3-thiazol-4-yl]-2-methylpropanoate
PubChem CID103570052
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Nameethyl 2-[2-(1-ethylpyrazol-4-yl)-1,3-thiazol-4-yl]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)c1csc(-c2cnn(CC)c2)n1
InChIInChI=1S/C14H19N3O2S/c1-5-17-8-10(7-15-17)12-16-11(9-20-12)14(3,4)13(18)19-6-2/h7-9H,5-6H2,1-4H3
InChIKeyBNHLDALYTSKDMS-UHFFFAOYSA-N
XLogP2.87
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[2-(1-ethylpyrazol-4-yl)-1,3-thiazol-4-yl]-2-methylpropanoate
CID 112752355
ethyl 2-methyl-2-[2-(2H-triazol-4-yl)-1,3-thiazol-4-yl]propanoate
CID 113369821
ethyl 2-[2-(3-fluoro-4-hydroxyphenyl)-1,3-thiazol-4-yl]-2-methylpropanoate
CID 136813601
ethyl 2-(2-bromo-1,3-thiazol-4-yl)-2-methylpropanoate
CID 137433439
ethyl 2-[2-(6-methoxy-2-pyridinyl)-1,3-thiazol-4-yl]-2-methylpropanoate
CID 103347819
ethyl 2-[2-(6-methoxypyrimidin-4-yl)-1,3-thiazol-4-yl]-2-methylpropanoate
CID 102949786
2-(1-ethylpyrazol-4-yl)-1,3-thiazole-4-carbaldehyde
CID 103570317
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
ethyl 2-methyl-2-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1,3-thiazol-4-yl]propanoate
CID 106411445
ethyl 2-(1-ethylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylate
CID 103570054

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(1-ethylpyrazol-4-yl)-1,3-thiazol-4-yl]-2-methylpropanoate?
The IUPAC name of ethyl 2-[2-(1-ethylpyrazol-4-yl)-1,3-thiazol-4-yl]-2-methylpropanoate (CID 103570052) is ethyl 2-[2-(1-ethylpyrazol-4-yl)-1,3-thiazol-4-yl]-2-methylpropanoate.
What is the SMILES notation for ethyl 2-[2-(1-ethylpyrazol-4-yl)-1,3-thiazol-4-yl]-2-methylpropanoate?
The canonical SMILES for ethyl 2-[2-(1-ethylpyrazol-4-yl)-1,3-thiazol-4-yl]-2-methylpropanoate is CCOC(=O)C(C)(C)c1csc(-c2cnn(CC)c2)n1.
What is the InChIKey of ethyl 2-[2-(1-ethylpyrazol-4-yl)-1,3-thiazol-4-yl]-2-methylpropanoate?
The InChIKey is BNHLDALYTSKDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-5-17-8-10(7-15-17)12-16-11(9-20-12)14(3,4)13(18)19-6-2/h7-9H,5-6H2,1-4H3.
What are the key properties of ethyl 2-[2-(1-ethylpyrazol-4-yl)-1,3-thiazol-4-yl]-2-methylpropanoate?
ethyl 2-[2-(1-ethylpyrazol-4-yl)-1,3-thiazol-4-yl]-2-methylpropanoate has a molecular weight of 293.39 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(1-ethylpyrazol-4-yl)-1,3-thiazol-4-yl]-2-methylpropanoate is sourced from PubChem (CID 103570052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).