methyl 2-[[2-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)oxyacetyl]amino]acetate

C13H13N3O5S2 — CID 7735786

IUPACmethyl 2-[[2-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)oxyacetyl]amino]acetate
SMILESCOC(=O)CNC(=O)COC(=O)CSc1ncnc2sccc12
InChIInChI=1S/C13H13N3O5S2/c1-20-10(18)4-14-9(17)5-21-11(19)6-23-13-8-2-3-22-12(8)15-7-16-13/h2-3,7H,4-6H2,1H3,(H,14,17)
InChIKeyKLUDAXSRMLYVTP-UHFFFAOYSA-N
MW355.40 g/mol
LogP0.62
Rot. Bonds7

About methyl 2-[[2-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)oxyacetyl]amino]acetate

methyl 2-[[2-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)oxyacetyl]amino]acetate (PubChem CID 7735786) has the molecular formula C13H13N3O5S2 and a molecular weight of 355.40 g/mol. Its IUPAC name is methyl 2-[[2-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)oxyacetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)oxyacetyl]amino]acetate
PubChem CID7735786
Molecular FormulaC13H13N3O5S2
Molecular Weight355.40 g/mol
Exact Mass355.03
IUPAC Namemethyl 2-[[2-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)oxyacetyl]amino]acetate
SMILESCOC(=O)CNC(=O)COC(=O)CSc1ncnc2sccc12
InChIInChI=1S/C13H13N3O5S2/c1-20-10(18)4-14-9(17)5-21-11(19)6-23-13-8-2-3-22-12(8)15-7-16-13/h2-3,7H,4-6H2,1H3,(H,14,17)
InChIKeyKLUDAXSRMLYVTP-UHFFFAOYSA-N
XLogP0.62
TPSA107.48 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze methyl 2-[[2-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)oxyacetyl]amino]acetate with MolForge

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Related Compounds

[2-(2-methylpropylamino)-2-oxoethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
CID 7735780
[2-oxo-2-(2-phenoxyethylamino)ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
CID 8565787
[2-(dimethylamino)-2-oxoethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
CID 7735649
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
CID 7735749
2-hydroxyethyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
CID 24518916
phenacyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
CID 7742490
[2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
CID 7735497
[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
CID 11914450
[2-(4-ethylphenyl)-2-oxoethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
CID 7735739
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
CID 7742507
2-(3-methylphenoxy)ethyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
CID 7735582
[2-(dibenzylamino)-2-oxoethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
CID 2449239

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)oxyacetyl]amino]acetate?
The IUPAC name of methyl 2-[[2-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)oxyacetyl]amino]acetate (CID 7735786) is methyl 2-[[2-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)oxyacetyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)oxyacetyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)oxyacetyl]amino]acetate is COC(=O)CNC(=O)COC(=O)CSc1ncnc2sccc12.
What is the InChIKey of methyl 2-[[2-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)oxyacetyl]amino]acetate?
The InChIKey is KLUDAXSRMLYVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O5S2/c1-20-10(18)4-14-9(17)5-21-11(19)6-23-13-8-2-3-22-12(8)15-7-16-13/h2-3,7H,4-6H2,1H3,(H,14,17).
What are the key properties of methyl 2-[[2-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)oxyacetyl]amino]acetate?
methyl 2-[[2-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)oxyacetyl]amino]acetate has a molecular weight of 355.40 g/mol, XLogP of 0.62, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)oxyacetyl]amino]acetate is sourced from PubChem (CID 7735786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).