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

C16H14N4O5S2 — CID 71788378

IUPACethyl 2-[2-[[2-(thiophene-3-carbonylamino)-1,3-oxazole-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2coc(NC(=O)c3ccsc3)n2)n1
InChIInChI=1S/C16H14N4O5S2/c1-2-24-12(21)5-10-8-27-16(17-10)20-14(23)11-6-25-15(18-11)19-13(22)9-3-4-26-7-9/h3-4,6-8H,2,5H2,1H3,(H,17,20,23)(H,18,19,22)
InChIKeyNPDRTTCKXALJFU-UHFFFAOYSA-N
MW406.45 g/mol
LogP2.80
Rot. Bonds7

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

ethyl 2-[2-[[2-(thiophene-3-carbonylamino)-1,3-oxazole-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 71788378) has the molecular formula C16H14N4O5S2 and a molecular weight of 406.45 g/mol. Its IUPAC name is ethyl 2-[2-[[2-(thiophene-3-carbonylamino)-1,3-oxazole-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[2-(thiophene-3-carbonylamino)-1,3-oxazole-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID71788378
Molecular FormulaC16H14N4O5S2
Molecular Weight406.45 g/mol
Exact Mass406.04
IUPAC Nameethyl 2-[2-[[2-(thiophene-3-carbonylamino)-1,3-oxazole-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2coc(NC(=O)c3ccsc3)n2)n1
InChIInChI=1S/C16H14N4O5S2/c1-2-24-12(21)5-10-8-27-16(17-10)20-14(23)11-6-25-15(18-11)19-13(22)9-3-4-26-7-9/h3-4,6-8H,2,5H2,1H3,(H,17,20,23)(H,18,19,22)
InChIKeyNPDRTTCKXALJFU-UHFFFAOYSA-N
XLogP2.80
TPSA123.42 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze ethyl 2-[2-[[2-(thiophene-3-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-(furan-2-carbonylamino)-1,3-oxazole-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 52907942
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
ethyl 2-[2-[(4-chloro-3-iodobenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 38937088
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-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515460
ethyl 2-[2-[(4-phenoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 2466553
ethyl 2-[2-[(6-bromopyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 66463368
ethyl 2-[2-[(1-methylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 19474564
ethyl 2-[2-[(4-propan-2-ylsulfanylbenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 55821879
ethyl 2-[2-[(2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 18139388
ethyl 2-[2-[[5-(4-chlorophenyl)-1,2-oxazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 24608759
ethyl 2-[2-[[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzoyl]amino]-1,3-thiazol-4-yl]acetate
CID 121094373

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[2-(thiophene-3-carbonylamino)-1,3-oxazole-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[2-(thiophene-3-carbonylamino)-1,3-oxazole-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate (CID 71788378) is ethyl 2-[2-[[2-(thiophene-3-carbonylamino)-1,3-oxazole-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[2-(thiophene-3-carbonylamino)-1,3-oxazole-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[2-(thiophene-3-carbonylamino)-1,3-oxazole-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)c2coc(NC(=O)c3ccsc3)n2)n1.
What is the InChIKey of ethyl 2-[2-[[2-(thiophene-3-carbonylamino)-1,3-oxazole-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is NPDRTTCKXALJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O5S2/c1-2-24-12(21)5-10-8-27-16(17-10)20-14(23)11-6-25-15(18-11)19-13(22)9-3-4-26-7-9/h3-4,6-8H,2,5H2,1H3,(H,17,20,23)(H,18,19,22).
What are the key properties of ethyl 2-[2-[[2-(thiophene-3-carbonylamino)-1,3-oxazole-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[2-(thiophene-3-carbonylamino)-1,3-oxazole-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 406.45 g/mol, XLogP of 2.80, 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-(thiophene-3-carbonylamino)-1,3-oxazole-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 71788378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).