methyl 2-[(2-methoxy-2-oxoethyl)-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]acetate

C18H18N2O6S2 — CID 56580860

IUPACmethyl 2-[(2-methoxy-2-oxoethyl)-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)C(=O)COc1cc2sc(C)nc2c2sccc12
InChIInChI=1S/C18H18N2O6S2/c1-10-19-17-13(28-10)6-12(11-4-5-27-18(11)17)26-9-14(21)20(7-15(22)24-2)8-16(23)25-3/h4-6H,7-9H2,1-3H3
InChIKeyBAGSRIKARDNDRK-UHFFFAOYSA-N
MW422.48 g/mol
LogP2.37
Rot. Bonds7

About methyl 2-[(2-methoxy-2-oxoethyl)-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]acetate

methyl 2-[(2-methoxy-2-oxoethyl)-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]acetate (PubChem CID 56580860) has the molecular formula C18H18N2O6S2 and a molecular weight of 422.48 g/mol. Its IUPAC name is methyl 2-[(2-methoxy-2-oxoethyl)-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-methoxy-2-oxoethyl)-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]acetate
PubChem CID56580860
Molecular FormulaC18H18N2O6S2
Molecular Weight422.48 g/mol
Exact Mass422.06
IUPAC Namemethyl 2-[(2-methoxy-2-oxoethyl)-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)C(=O)COc1cc2sc(C)nc2c2sccc12
InChIInChI=1S/C18H18N2O6S2/c1-10-19-17-13(28-10)6-12(11-4-5-27-18(11)17)26-9-14(21)20(7-15(22)24-2)8-16(23)25-3/h4-6H,7-9H2,1-3H3
InChIKeyBAGSRIKARDNDRK-UHFFFAOYSA-N
XLogP2.37
TPSA95.03 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze methyl 2-[(2-methoxy-2-oxoethyl)-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]acetate?
The IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]acetate (CID 56580860) is methyl 2-[(2-methoxy-2-oxoethyl)-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]acetate.
What is the SMILES notation for methyl 2-[(2-methoxy-2-oxoethyl)-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]acetate?
The canonical SMILES for methyl 2-[(2-methoxy-2-oxoethyl)-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]acetate is COC(=O)CN(CC(=O)OC)C(=O)COc1cc2sc(C)nc2c2sccc12.
What is the InChIKey of methyl 2-[(2-methoxy-2-oxoethyl)-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]acetate?
The InChIKey is BAGSRIKARDNDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O6S2/c1-10-19-17-13(28-10)6-12(11-4-5-27-18(11)17)26-9-14(21)20(7-15(22)24-2)8-16(23)25-3/h4-6H,7-9H2,1-3H3.
What are the key properties of methyl 2-[(2-methoxy-2-oxoethyl)-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]acetate?
methyl 2-[(2-methoxy-2-oxoethyl)-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]acetate has a molecular weight of 422.48 g/mol, XLogP of 2.37, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methoxy-2-oxoethyl)-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]acetate is sourced from PubChem (CID 56580860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).