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

C14H18N4O3S — CID 3214225

IUPACethyl 2-[[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CSc1nc2cccnc2n1CC
InChIInChI=1S/C14H18N4O3S/c1-3-18-13-10(6-5-7-15-13)17-14(18)22-9-11(19)16-8-12(20)21-4-2/h5-7H,3-4,8-9H2,1-2H3,(H,16,19)
InChIKeyCLRHIQLCUVIJFY-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.22
Rot. Bonds7

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

ethyl 2-[[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]acetate (PubChem CID 3214225) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is ethyl 2-[[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]acetate
PubChem CID3214225
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC Nameethyl 2-[[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CSc1nc2cccnc2n1CC
InChIInChI=1S/C14H18N4O3S/c1-3-18-13-10(6-5-7-15-13)17-14(18)22-9-11(19)16-8-12(20)21-4-2/h5-7H,3-4,8-9H2,1-2H3,(H,16,19)
InChIKeyCLRHIQLCUVIJFY-UHFFFAOYSA-N
XLogP1.22
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.22
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-ethylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]acetate (CID 3214225) is ethyl 2-[[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]acetate is CCOC(=O)CNC(=O)CSc1nc2cccnc2n1CC.
What is the InChIKey of ethyl 2-[[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]acetate?
The InChIKey is CLRHIQLCUVIJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-3-18-13-10(6-5-7-15-13)17-14(18)22-9-11(19)16-8-12(20)21-4-2/h5-7H,3-4,8-9H2,1-2H3,(H,16,19).
What are the key properties of ethyl 2-[[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]acetate?
ethyl 2-[[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]acetate has a molecular weight of 322.39 g/mol, XLogP of 1.22, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]acetate is sourced from PubChem (CID 3214225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).