[2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] furan-2-carboxylate

C13H12N2O6S — CID 7814134

IUPAC[2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] furan-2-carboxylate
SMILESCOC(=O)Cc1csc(NC(=O)COC(=O)c2ccco2)n1
InChIInChI=1S/C13H12N2O6S/c1-19-11(17)5-8-7-22-13(14-8)15-10(16)6-21-12(18)9-3-2-4-20-9/h2-4,7H,5-6H2,1H3,(H,14,15,16)
InChIKeyFRNNDVZISHYCNC-UHFFFAOYSA-N
MW324.31 g/mol
LogP1.25
Rot. Bonds6

About [2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] furan-2-carboxylate

[2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] furan-2-carboxylate (PubChem CID 7814134) has the molecular formula C13H12N2O6S and a molecular weight of 324.31 g/mol. Its IUPAC name is [2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] furan-2-carboxylate.

Molecular Properties

Compound Name[2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] furan-2-carboxylate
PubChem CID7814134
Molecular FormulaC13H12N2O6S
Molecular Weight324.31 g/mol
Exact Mass324.04
IUPAC Name[2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] furan-2-carboxylate
SMILESCOC(=O)Cc1csc(NC(=O)COC(=O)c2ccco2)n1
InChIInChI=1S/C13H12N2O6S/c1-19-11(17)5-8-7-22-13(14-8)15-10(16)6-21-12(18)9-3-2-4-20-9/h2-4,7H,5-6H2,1H3,(H,14,15,16)
InChIKeyFRNNDVZISHYCNC-UHFFFAOYSA-N
XLogP1.25
TPSA107.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] furan-2-carboxylate with MolForge

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Related Compounds

[2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-fluorobenzoate
CID 7789394
methyl 2-[2-[(2-benzylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetate
CID 35163203
[2-[[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] furan-2-carboxylate
CID 7486674
methyl 2-[2-[[2-(2-ethoxyacetyl)oxyacetyl]amino]-1,3-thiazol-4-yl]acetate
CID 8709347
[2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-thiophen-2-ylbutanoate
CID 7962610
methyl 2-[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-1,3-thiazol-4-yl]acetate
CID 43623022
[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] furan-2-carboxylate
CID 23745766
methyl 2-[2-[[2-(4-hydroxyphenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 43623058
methyl 2-[2-[[2-(pyridin-3-ylmethylsulfanyl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 47070400
methyl 2-[2-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]-1,3-thiazol-4-yl]acetate
CID 8579410
methyl 2-[2-[[2-[2-(4-cyanophenoxy)acetyl]oxyacetyl]amino]-1,3-thiazol-4-yl]acetate
CID 9141010
[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 7554265

Frequently Asked Questions

What is the IUPAC name of [2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] furan-2-carboxylate?
The IUPAC name of [2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] furan-2-carboxylate (CID 7814134) is [2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] furan-2-carboxylate.
What is the SMILES notation for [2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] furan-2-carboxylate?
The canonical SMILES for [2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] furan-2-carboxylate is COC(=O)Cc1csc(NC(=O)COC(=O)c2ccco2)n1.
What is the InChIKey of [2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] furan-2-carboxylate?
The InChIKey is FRNNDVZISHYCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O6S/c1-19-11(17)5-8-7-22-13(14-8)15-10(16)6-21-12(18)9-3-2-4-20-9/h2-4,7H,5-6H2,1H3,(H,14,15,16).
What are the key properties of [2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] furan-2-carboxylate?
[2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] furan-2-carboxylate has a molecular weight of 324.31 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] furan-2-carboxylate is sourced from PubChem (CID 7814134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).