ethyl 2-[2-[[2-(furan-2-carbonylamino)-1,3-oxazole-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate

C16H14N4O6S — CID 52907942

IUPACethyl 2-[2-[[2-(furan-2-carbonylamino)-1,3-oxazole-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2coc(NC(=O)c3ccco3)n2)n1
InChIInChI=1S/C16H14N4O6S/c1-2-24-12(21)6-9-8-27-16(17-9)20-13(22)10-7-26-15(18-10)19-14(23)11-4-3-5-25-11/h3-5,7-8H,2,6H2,1H3,(H,17,20,22)(H,18,19,23)
InChIKeyATKPSAUCAKNLGO-UHFFFAOYSA-N
MW390.38 g/mol
LogP2.33
Rot. Bonds7

About ethyl 2-[2-[[2-(furan-2-carbonylamino)-1,3-oxazole-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[2-(furan-2-carbonylamino)-1,3-oxazole-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 52907942) has the molecular formula C16H14N4O6S and a molecular weight of 390.38 g/mol. Its IUPAC name is ethyl 2-[2-[[2-(furan-2-carbonylamino)-1,3-oxazole-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[2-(furan-2-carbonylamino)-1,3-oxazole-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID52907942
Molecular FormulaC16H14N4O6S
Molecular Weight390.38 g/mol
Exact Mass390.06
IUPAC Nameethyl 2-[2-[[2-(furan-2-carbonylamino)-1,3-oxazole-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2coc(NC(=O)c3ccco3)n2)n1
InChIInChI=1S/C16H14N4O6S/c1-2-24-12(21)6-9-8-27-16(17-9)20-13(22)10-7-26-15(18-10)19-14(23)11-4-3-5-25-11/h3-5,7-8H,2,6H2,1H3,(H,17,20,22)(H,18,19,23)
InChIKeyATKPSAUCAKNLGO-UHFFFAOYSA-N
XLogP2.33
TPSA136.56 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.38
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze ethyl 2-[2-[[2-(furan-2-carbonylamino)-1,3-oxazole-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

ethyl 2-[2-[[2-(thiophene-3-carbonylamino)-1,3-oxazole-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 71788378
N-(4-ethyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 87065618
N-[4-[2-oxo-2-(propylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 17472757
ethyl 2-[2-(furo[3,2-b]pyridine-2-carbonylamino)-1,3-thiazol-4-yl]acetate
CID 16906877
2-(furan-2-carbonylamino)-N-propan-2-yl-1,3-oxazole-4-carboxamide
CID 90515122
ethyl 2-[2-[[2-[2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 46492925
N-[4-[2-(N-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 46483651
N-[4-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 17450354
ethyl 2-[2-[(2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 18139388
N-[4-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 18194371
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
ethyl 2-[2-(benzylamino)-1,3-thiazol-4-yl]acetate
CID 1132760

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[2-(furan-2-carbonylamino)-1,3-oxazole-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[2-(furan-2-carbonylamino)-1,3-oxazole-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate (CID 52907942) is ethyl 2-[2-[[2-(furan-2-carbonylamino)-1,3-oxazole-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[2-(furan-2-carbonylamino)-1,3-oxazole-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[2-(furan-2-carbonylamino)-1,3-oxazole-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)c2coc(NC(=O)c3ccco3)n2)n1.
What is the InChIKey of ethyl 2-[2-[[2-(furan-2-carbonylamino)-1,3-oxazole-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is ATKPSAUCAKNLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O6S/c1-2-24-12(21)6-9-8-27-16(17-9)20-13(22)10-7-26-15(18-10)19-14(23)11-4-3-5-25-11/h3-5,7-8H,2,6H2,1H3,(H,17,20,22)(H,18,19,23).
What are the key properties of ethyl 2-[2-[[2-(furan-2-carbonylamino)-1,3-oxazole-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[2-(furan-2-carbonylamino)-1,3-oxazole-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 390.38 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[2-(furan-2-carbonylamino)-1,3-oxazole-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 52907942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).