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

C13H17N3O2S — CID 112752355

IUPACmethyl 2-[2-(1-ethylpyrazol-4-yl)-1,3-thiazol-4-yl]-2-methylpropanoate
SMILESCCn1cc(-c2nc(C(C)(C)C(=O)OC)cs2)cn1
InChIInChI=1S/C13H17N3O2S/c1-5-16-7-9(6-14-16)11-15-10(8-19-11)13(2,3)12(17)18-4/h6-8H,5H2,1-4H3
InChIKeyYDCKSRFBZUNVDK-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.48
Rot. Bonds4

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

methyl 2-[2-(1-ethylpyrazol-4-yl)-1,3-thiazol-4-yl]-2-methylpropanoate (PubChem CID 112752355) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is methyl 2-[2-(1-ethylpyrazol-4-yl)-1,3-thiazol-4-yl]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[2-(1-ethylpyrazol-4-yl)-1,3-thiazol-4-yl]-2-methylpropanoate
PubChem CID112752355
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Namemethyl 2-[2-(1-ethylpyrazol-4-yl)-1,3-thiazol-4-yl]-2-methylpropanoate
SMILESCCn1cc(-c2nc(C(C)(C)C(=O)OC)cs2)cn1
InChIInChI=1S/C13H17N3O2S/c1-5-16-7-9(6-14-16)11-15-10(8-19-11)13(2,3)12(17)18-4/h6-8H,5H2,1-4H3
InChIKeyYDCKSRFBZUNVDK-UHFFFAOYSA-N
XLogP2.48
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[2-(1-ethylpyrazol-4-yl)-1,3-thiazol-4-yl]-2-methylpropanoate
CID 103570052
2-(1-ethylpyrazol-4-yl)-1,3-thiazole-4-carbaldehyde
CID 103570317
methyl 2-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanoate
CID 116890129
methyl 2-methyl-2-[2-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]propanoate
CID 136988902
methyl 2-methyl-2-[2-(methylamino)-1,3-thiazol-4-yl]propanoate
CID 130537394
methyl 2-(1-ethylpyrazol-4-yl)-1,3-thiazole-5-carboxylate
CID 103570067
ethyl 2-methyl-2-[2-(2H-triazol-4-yl)-1,3-thiazol-4-yl]propanoate
CID 113369821
4-ethyl-2-(1-ethylpyrazol-4-yl)-1,3-thiazole-5-carboxylic acid
CID 103570070
ethyl 2-[2-(3-fluoro-4-hydroxyphenyl)-1,3-thiazol-4-yl]-2-methylpropanoate
CID 136813601
2-(4-bromophenyl)-4-(1-ethylpyrazol-4-yl)-1,3-thiazole
CID 79832283
methyl 2-methyl-2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]propanoate
CID 112752462
ethyl 2-[2-(6-methoxypyrimidin-4-yl)-1,3-thiazol-4-yl]-2-methylpropanoate
CID 102949786

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(1-ethylpyrazol-4-yl)-1,3-thiazol-4-yl]-2-methylpropanoate?
The IUPAC name of methyl 2-[2-(1-ethylpyrazol-4-yl)-1,3-thiazol-4-yl]-2-methylpropanoate (CID 112752355) is methyl 2-[2-(1-ethylpyrazol-4-yl)-1,3-thiazol-4-yl]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[2-(1-ethylpyrazol-4-yl)-1,3-thiazol-4-yl]-2-methylpropanoate?
The canonical SMILES for methyl 2-[2-(1-ethylpyrazol-4-yl)-1,3-thiazol-4-yl]-2-methylpropanoate is CCn1cc(-c2nc(C(C)(C)C(=O)OC)cs2)cn1.
What is the InChIKey of methyl 2-[2-(1-ethylpyrazol-4-yl)-1,3-thiazol-4-yl]-2-methylpropanoate?
The InChIKey is YDCKSRFBZUNVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-5-16-7-9(6-14-16)11-15-10(8-19-11)13(2,3)12(17)18-4/h6-8H,5H2,1-4H3.
What are the key properties of methyl 2-[2-(1-ethylpyrazol-4-yl)-1,3-thiazol-4-yl]-2-methylpropanoate?
methyl 2-[2-(1-ethylpyrazol-4-yl)-1,3-thiazol-4-yl]-2-methylpropanoate has a molecular weight of 279.37 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(1-ethylpyrazol-4-yl)-1,3-thiazol-4-yl]-2-methylpropanoate is sourced from PubChem (CID 112752355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).