ethyl 2-[[2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]acetate

C13H16N4O3S — CID 653391

IUPACethyl 2-[[2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CSc1nc2cccnc2n1C
InChIInChI=1S/C13H16N4O3S/c1-3-20-11(19)7-15-10(18)8-21-13-16-9-5-4-6-14-12(9)17(13)2/h4-6H,3,7-8H2,1-2H3,(H,15,18)
InChIKeyBFIOEFOJGLXMKX-UHFFFAOYSA-N
MW308.36 g/mol
LogP0.74
Rot. Bonds6

About ethyl 2-[[2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]acetate

ethyl 2-[[2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]acetate (PubChem CID 653391) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is ethyl 2-[[2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]acetate
PubChem CID653391
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC Nameethyl 2-[[2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CSc1nc2cccnc2n1C
InChIInChI=1S/C13H16N4O3S/c1-3-20-11(19)7-15-10(18)8-21-13-16-9-5-4-6-14-12(9)17(13)2/h4-6H,3,7-8H2,1-2H3,(H,15,18)
InChIKeyBFIOEFOJGLXMKX-UHFFFAOYSA-N
XLogP0.74
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]acetate (CID 653391) is ethyl 2-[[2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]acetate is CCOC(=O)CNC(=O)CSc1nc2cccnc2n1C.
What is the InChIKey of ethyl 2-[[2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]acetate?
The InChIKey is BFIOEFOJGLXMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-3-20-11(19)7-15-10(18)8-21-13-16-9-5-4-6-14-12(9)17(13)2/h4-6H,3,7-8H2,1-2H3,(H,15,18).
What are the key properties of ethyl 2-[[2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]acetate?
ethyl 2-[[2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]acetate has a molecular weight of 308.36 g/mol, XLogP of 0.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]acetate is sourced from PubChem (CID 653391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).