ethyl 2-methyl-2-[2-(2H-triazol-4-yl)-1,3-thiazol-4-yl]propanoate

C11H14N4O2S — CID 113369821

IUPACethyl 2-methyl-2-[2-(2H-triazol-4-yl)-1,3-thiazol-4-yl]propanoate
SMILESCCOC(=O)C(C)(C)c1csc(-c2cn[nH]n2)n1
InChIInChI=1S/C11H14N4O2S/c1-4-17-10(16)11(2,3)8-6-18-9(13-8)7-5-12-15-14-7/h5-6H,4H2,1-3H3,(H,12,14,15)
InChIKeyORXBMMWGFFGBSA-UHFFFAOYSA-N
MW266.33 g/mol
LogP1.77
Rot. Bonds4

About ethyl 2-methyl-2-[2-(2H-triazol-4-yl)-1,3-thiazol-4-yl]propanoate

ethyl 2-methyl-2-[2-(2H-triazol-4-yl)-1,3-thiazol-4-yl]propanoate (PubChem CID 113369821) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is ethyl 2-methyl-2-[2-(2H-triazol-4-yl)-1,3-thiazol-4-yl]propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-[2-(2H-triazol-4-yl)-1,3-thiazol-4-yl]propanoate
PubChem CID113369821
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Nameethyl 2-methyl-2-[2-(2H-triazol-4-yl)-1,3-thiazol-4-yl]propanoate
SMILESCCOC(=O)C(C)(C)c1csc(-c2cn[nH]n2)n1
InChIInChI=1S/C11H14N4O2S/c1-4-17-10(16)11(2,3)8-6-18-9(13-8)7-5-12-15-14-7/h5-6H,4H2,1-3H3,(H,12,14,15)
InChIKeyORXBMMWGFFGBSA-UHFFFAOYSA-N
XLogP1.77
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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ethyl 2-[2-[(2-methoxy-2-methylpropyl)amino]-1,3-thiazol-4-yl]-2-methylpropanoate
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ethyl 2-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-4-yl]-2-methylpropanoate
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ethyl 2-methyl-2-[2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-1,3-thiazol-4-yl]propanoate
CID 106411506
methyl 2-[2-(1-ethylpyrazol-4-yl)-1,3-thiazol-4-yl]-2-methylpropanoate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-[2-(2H-triazol-4-yl)-1,3-thiazol-4-yl]propanoate?
The IUPAC name of ethyl 2-methyl-2-[2-(2H-triazol-4-yl)-1,3-thiazol-4-yl]propanoate (CID 113369821) is ethyl 2-methyl-2-[2-(2H-triazol-4-yl)-1,3-thiazol-4-yl]propanoate.
What is the SMILES notation for ethyl 2-methyl-2-[2-(2H-triazol-4-yl)-1,3-thiazol-4-yl]propanoate?
The canonical SMILES for ethyl 2-methyl-2-[2-(2H-triazol-4-yl)-1,3-thiazol-4-yl]propanoate is CCOC(=O)C(C)(C)c1csc(-c2cn[nH]n2)n1.
What is the InChIKey of ethyl 2-methyl-2-[2-(2H-triazol-4-yl)-1,3-thiazol-4-yl]propanoate?
The InChIKey is ORXBMMWGFFGBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-4-17-10(16)11(2,3)8-6-18-9(13-8)7-5-12-15-14-7/h5-6H,4H2,1-3H3,(H,12,14,15).
What are the key properties of ethyl 2-methyl-2-[2-(2H-triazol-4-yl)-1,3-thiazol-4-yl]propanoate?
ethyl 2-methyl-2-[2-(2H-triazol-4-yl)-1,3-thiazol-4-yl]propanoate has a molecular weight of 266.33 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-[2-(2H-triazol-4-yl)-1,3-thiazol-4-yl]propanoate is sourced from PubChem (CID 113369821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).