ethyl 2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-1,3-thiazole-4-carboxylate

C11H12N2O5S — CID 4133003

IUPACethyl 2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)C2=COCCO2)n1
InChIInChI=1S/C11H12N2O5S/c1-2-17-10(15)7-6-19-11(12-7)13-9(14)8-5-16-3-4-18-8/h5-6H,2-4H2,1H3,(H,12,13,14)
InChIKeyORCSCRNUAIKPQS-UHFFFAOYSA-N
MW284.29 g/mol
LogP1.15
Rot. Bonds4

About ethyl 2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-1,3-thiazole-4-carboxylate

ethyl 2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-1,3-thiazole-4-carboxylate (PubChem CID 4133003) has the molecular formula C11H12N2O5S and a molecular weight of 284.29 g/mol. Its IUPAC name is ethyl 2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-1,3-thiazole-4-carboxylate
PubChem CID4133003
Molecular FormulaC11H12N2O5S
Molecular Weight284.29 g/mol
Exact Mass284.05
IUPAC Nameethyl 2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)C2=COCCO2)n1
InChIInChI=1S/C11H12N2O5S/c1-2-17-10(15)7-6-19-11(12-7)13-9(14)8-5-16-3-4-18-8/h5-6H,2-4H2,1H3,(H,12,13,14)
InChIKeyORCSCRNUAIKPQS-UHFFFAOYSA-N
XLogP1.15
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Ethyl 2-acetamido-1,3-thiazole-4-carboxylate
CID 702548
N-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 24687231
Ethyl 2-butanamido-1,3-thiazole-4-carboxylate
CID 2326262
Ethyl 2-(2,2-dimethylpropanoylamino)-1,3-thiazole-4-carboxylate
CID 4067264
4-Thiazolecarboxylic acid, 2-(ethylamino)-, ethyl ester
CID 15053541
Ethyl 2-(2-(acetylthio)acetamido)thiazole-4-carboxylate
CID 16949115
Ethyl 2-((tert-butoxycarbonyl)amino)-1,3-thiazole-4-carboxylate
CID 22280595
Ethyl 2-[[2-(dimethylamino)acetyl]amino]-1,3-thiazole-4-carboxylate
CID 396820
(2-Acetamido-1,3-thiazol-4-yl)methyl 2-methoxyacetate
CID 29763638
Propyl 2-acetamido-1,3-thiazole-4-carboxylate
CID 46605335
(3-Methoxycyclobutyl) 2-acetamido-1,3-thiazole-4-carboxylate
CID 75458467
Ethyl 2-{[6-oxo-4-(trifluoromethyl)-1,6-dihydro-2-pyrimidinyl]amino}-1,3-thiazole-4-carboxylate
CID 135537961

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-1,3-thiazole-4-carboxylate (CID 4133003) is ethyl 2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(NC(=O)C2=COCCO2)n1.
What is the InChIKey of ethyl 2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-1,3-thiazole-4-carboxylate?
The InChIKey is ORCSCRNUAIKPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O5S/c1-2-17-10(15)7-6-19-11(12-7)13-9(14)8-5-16-3-4-18-8/h5-6H,2-4H2,1H3,(H,12,13,14).
What are the key properties of ethyl 2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-1,3-thiazole-4-carboxylate?
ethyl 2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-1,3-thiazole-4-carboxylate has a molecular weight of 284.29 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 4133003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).