ethyl 2-(furan-2-carbonylamino)-4-phenyl-1,3-thiazole-5-carboxylate

C17H14N2O4S — CID 747391

IUPACethyl 2-(furan-2-carbonylamino)-4-phenyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccco2)nc1-c1ccccc1
InChIInChI=1S/C17H14N2O4S/c1-2-22-16(21)14-13(11-7-4-3-5-8-11)18-17(24-14)19-15(20)12-9-6-10-23-12/h3-10H,2H2,1H3,(H,18,19,20)
InChIKeyRGLCSVSNNAHOSL-UHFFFAOYSA-N
MW342.38 g/mol
LogP3.83
Rot. Bonds5

About ethyl 2-(furan-2-carbonylamino)-4-phenyl-1,3-thiazole-5-carboxylate

ethyl 2-(furan-2-carbonylamino)-4-phenyl-1,3-thiazole-5-carboxylate (PubChem CID 747391) has the molecular formula C17H14N2O4S and a molecular weight of 342.38 g/mol. Its IUPAC name is ethyl 2-(furan-2-carbonylamino)-4-phenyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(furan-2-carbonylamino)-4-phenyl-1,3-thiazole-5-carboxylate
PubChem CID747391
Molecular FormulaC17H14N2O4S
Molecular Weight342.38 g/mol
Exact Mass342.07
IUPAC Nameethyl 2-(furan-2-carbonylamino)-4-phenyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccco2)nc1-c1ccccc1
InChIInChI=1S/C17H14N2O4S/c1-2-22-16(21)14-13(11-7-4-3-5-8-11)18-17(24-14)19-15(20)12-9-6-10-23-12/h3-10H,2H2,1H3,(H,18,19,20)
InChIKeyRGLCSVSNNAHOSL-UHFFFAOYSA-N
XLogP3.83
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(furan-2-carbonylamino)-4-phenyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(furan-2-carbonylamino)-4-phenyl-1,3-thiazole-5-carboxylate (CID 747391) is ethyl 2-(furan-2-carbonylamino)-4-phenyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(furan-2-carbonylamino)-4-phenyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(furan-2-carbonylamino)-4-phenyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)c2ccco2)nc1-c1ccccc1.
What is the InChIKey of ethyl 2-(furan-2-carbonylamino)-4-phenyl-1,3-thiazole-5-carboxylate?
The InChIKey is RGLCSVSNNAHOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4S/c1-2-22-16(21)14-13(11-7-4-3-5-8-11)18-17(24-14)19-15(20)12-9-6-10-23-12/h3-10H,2H2,1H3,(H,18,19,20).
What are the key properties of ethyl 2-(furan-2-carbonylamino)-4-phenyl-1,3-thiazole-5-carboxylate?
ethyl 2-(furan-2-carbonylamino)-4-phenyl-1,3-thiazole-5-carboxylate has a molecular weight of 342.38 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(furan-2-carbonylamino)-4-phenyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 747391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).