ethyl 2-[2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-1,3-thiazol-4-yl]acetate

C12H14N2O5S — CID 4171860

IUPACethyl 2-[2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)C2=COCCO2)n1
InChIInChI=1S/C12H14N2O5S/c1-2-18-10(15)5-8-7-20-12(13-8)14-11(16)9-6-17-3-4-19-9/h6-7H,2-5H2,1H3,(H,13,14,16)
InChIKeyPGGKSSWXJPWCNL-UHFFFAOYSA-N
MW298.32 g/mol
LogP1.08
Rot. Bonds5

About ethyl 2-[2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-1,3-thiazol-4-yl]acetate

ethyl 2-[2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-1,3-thiazol-4-yl]acetate (PubChem CID 4171860) has the molecular formula C12H14N2O5S and a molecular weight of 298.32 g/mol. Its IUPAC name is ethyl 2-[2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-1,3-thiazol-4-yl]acetate
PubChem CID4171860
Molecular FormulaC12H14N2O5S
Molecular Weight298.32 g/mol
Exact Mass298.06
IUPAC Nameethyl 2-[2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)C2=COCCO2)n1
InChIInChI=1S/C12H14N2O5S/c1-2-18-10(15)5-8-7-20-12(13-8)14-11(16)9-6-17-3-4-19-9/h6-7H,2-5H2,1H3,(H,13,14,16)
InChIKeyPGGKSSWXJPWCNL-UHFFFAOYSA-N
XLogP1.08
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-tert-butyl-1,3-thiazol-2-yl)-5,6-dihydro-1,4-dioxine-2-carboxamide
CID 4560518
N-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 24687231
Ethyl [2-(butanoylamino)-1,3-thiazol-4-yl]acetate
CID 2253148
Ethyl {2-[(2,2-dimethylpropanoyl)amino]-1,3-thiazol-4-yl}acetate
CID 732359
Ethyl 2-[2-(propanoylamino)-1,3-thiazol-4-yl]acetate
CID 732358
Ethyl {2-[(methoxycarbonyl)amino]-1,3-thiazol-4-yl}acetate
CID 14962248
Ethyl 2-(2-(2-((6-methyl-4-oxo-1,4-dihydropyridin-3-yl)oxy)acetamido)thiazol-4-yl)acetate
CID 71707789
Ethyl 2-acetylamino-4-thiazoleacetate
CID 3477732
Ethyl {[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino}(oxo)acetate
CID 2205903
Ethyl 2-(2-(2-((1,6-dimethyl-4-oxo-1,4-dihydropyridin-3-yl)oxy)acetamido)thiazol-4-yl)acetate
CID 60180265
Ethyl 2-[2-(ethoxycarbonylamino)-1,3-thiazol-4-yl]acetate
CID 717671
Ethyl {2-[(ethoxyacetyl)amino]-1,3-thiazol-4-yl}acetate
CID 2163039

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-1,3-thiazol-4-yl]acetate (CID 4171860) is ethyl 2-[2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)C2=COCCO2)n1.
What is the InChIKey of ethyl 2-[2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-1,3-thiazol-4-yl]acetate?
The InChIKey is PGGKSSWXJPWCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5S/c1-2-18-10(15)5-8-7-20-12(13-8)14-11(16)9-6-17-3-4-19-9/h6-7H,2-5H2,1H3,(H,13,14,16).
What are the key properties of ethyl 2-[2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-1,3-thiazol-4-yl]acetate has a molecular weight of 298.32 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 4171860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).