ethyl 5-[(1,3,4-thiadiazol-2-ylcarbamoylamino)methyl]furan-2-carboxylate

C11H12N4O4S — CID 31106251

IUPACethyl 5-[(1,3,4-thiadiazol-2-ylcarbamoylamino)methyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(CNC(=O)Nc2nncs2)o1
InChIInChI=1S/C11H12N4O4S/c1-2-18-9(16)8-4-3-7(19-8)5-12-10(17)14-11-15-13-6-20-11/h3-4,6H,2,5H2,1H3,(H2,12,14,15,17)
InChIKeyXRDYAFLIRIUASX-UHFFFAOYSA-N
MW296.31 g/mol
LogP1.63
Rot. Bonds5

About ethyl 5-[(1,3,4-thiadiazol-2-ylcarbamoylamino)methyl]furan-2-carboxylate

ethyl 5-[(1,3,4-thiadiazol-2-ylcarbamoylamino)methyl]furan-2-carboxylate (PubChem CID 31106251) has the molecular formula C11H12N4O4S and a molecular weight of 296.31 g/mol. Its IUPAC name is ethyl 5-[(1,3,4-thiadiazol-2-ylcarbamoylamino)methyl]furan-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(1,3,4-thiadiazol-2-ylcarbamoylamino)methyl]furan-2-carboxylate
PubChem CID31106251
Molecular FormulaC11H12N4O4S
Molecular Weight296.31 g/mol
Exact Mass296.06
IUPAC Nameethyl 5-[(1,3,4-thiadiazol-2-ylcarbamoylamino)methyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(CNC(=O)Nc2nncs2)o1
InChIInChI=1S/C11H12N4O4S/c1-2-18-9(16)8-4-3-7(19-8)5-12-10(17)14-11-15-13-6-20-11/h3-4,6H,2,5H2,1H3,(H2,12,14,15,17)
InChIKeyXRDYAFLIRIUASX-UHFFFAOYSA-N
XLogP1.63
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 5-[(2-methylpropanoylamino)methyl]furan-2-carboxylate
CID 71976282
ethyl 5-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylate
CID 71923929
ethyl 5-[[(5-bromofuran-2-carbonyl)amino]methyl]furan-2-carboxylate
CID 71976281
ethyl 5-[[(5-methyl-1,2-oxazole-3-carbonyl)amino]methyl]furan-2-carboxylate
CID 71860945
ethyl 5-[(1H-indazole-3-carbonylamino)methyl]furan-2-carboxylate
CID 71976298
ethyl 5-[[(1-phenylcyclopropanecarbonyl)amino]methyl]furan-2-carboxylate
CID 71976289
ethyl 5-[[(N'-benzyl-N,N-dimethylcarbamimidoyl)amino]methyl]furan-2-carboxylate;hydroiodide
CID 111859518
ethyl 5-[[(5-chloropyridine-2-carbonyl)amino]methyl]furan-2-carboxylate
CID 84586320
ethyl 5-[(2-methoxyethylamino)methyl]furan-2-carboxylate
CID 115904417
ethyl 5-[[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]methyl]furan-2-carboxylate
CID 1262815
1-[2-(4-methoxyphenyl)ethyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 30854193
ethyl 5-[[(3-fluoropyridine-4-carbonyl)amino]methyl]furan-2-carboxylate
CID 71976284

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(1,3,4-thiadiazol-2-ylcarbamoylamino)methyl]furan-2-carboxylate?
The IUPAC name of ethyl 5-[(1,3,4-thiadiazol-2-ylcarbamoylamino)methyl]furan-2-carboxylate (CID 31106251) is ethyl 5-[(1,3,4-thiadiazol-2-ylcarbamoylamino)methyl]furan-2-carboxylate.
What is the SMILES notation for ethyl 5-[(1,3,4-thiadiazol-2-ylcarbamoylamino)methyl]furan-2-carboxylate?
The canonical SMILES for ethyl 5-[(1,3,4-thiadiazol-2-ylcarbamoylamino)methyl]furan-2-carboxylate is CCOC(=O)c1ccc(CNC(=O)Nc2nncs2)o1.
What is the InChIKey of ethyl 5-[(1,3,4-thiadiazol-2-ylcarbamoylamino)methyl]furan-2-carboxylate?
The InChIKey is XRDYAFLIRIUASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4S/c1-2-18-9(16)8-4-3-7(19-8)5-12-10(17)14-11-15-13-6-20-11/h3-4,6H,2,5H2,1H3,(H2,12,14,15,17).
What are the key properties of ethyl 5-[(1,3,4-thiadiazol-2-ylcarbamoylamino)methyl]furan-2-carboxylate?
ethyl 5-[(1,3,4-thiadiazol-2-ylcarbamoylamino)methyl]furan-2-carboxylate has a molecular weight of 296.31 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(1,3,4-thiadiazol-2-ylcarbamoylamino)methyl]furan-2-carboxylate is sourced from PubChem (CID 31106251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).