methyl 3-amino-6-(2,3-dimethoxyphenoxy)thieno[3,2-b]pyridine-2-carboxylate

C17H16N2O5S — CID 73349540

IUPACmethyl 3-amino-6-(2,3-dimethoxyphenoxy)thieno[3,2-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2cc(Oc3cccc(OC)c3OC)cnc2c1N
InChIInChI=1S/C17H16N2O5S/c1-21-10-5-4-6-11(15(10)22-2)24-9-7-12-14(19-8-9)13(18)16(25-12)17(20)23-3/h4-8H,18H2,1-3H3
InChIKeyNMDMNCSLYUJGLQ-UHFFFAOYSA-N
MW360.39 g/mol
LogP3.47
Rot. Bonds5

About methyl 3-amino-6-(2,3-dimethoxyphenoxy)thieno[3,2-b]pyridine-2-carboxylate

methyl 3-amino-6-(2,3-dimethoxyphenoxy)thieno[3,2-b]pyridine-2-carboxylate (PubChem CID 73349540) has the molecular formula C17H16N2O5S and a molecular weight of 360.39 g/mol. Its IUPAC name is methyl 3-amino-6-(2,3-dimethoxyphenoxy)thieno[3,2-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-6-(2,3-dimethoxyphenoxy)thieno[3,2-b]pyridine-2-carboxylate
PubChem CID73349540
Molecular FormulaC17H16N2O5S
Molecular Weight360.39 g/mol
Exact Mass360.08
IUPAC Namemethyl 3-amino-6-(2,3-dimethoxyphenoxy)thieno[3,2-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2cc(Oc3cccc(OC)c3OC)cnc2c1N
InChIInChI=1S/C17H16N2O5S/c1-21-10-5-4-6-11(15(10)22-2)24-9-7-12-14(19-8-9)13(18)16(25-12)17(20)23-3/h4-8H,18H2,1-3H3
InChIKeyNMDMNCSLYUJGLQ-UHFFFAOYSA-N
XLogP3.47
TPSA92.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-6-(2,3-dimethoxyphenoxy)thieno[3,2-b]pyridine-2-carboxylate?
The IUPAC name of methyl 3-amino-6-(2,3-dimethoxyphenoxy)thieno[3,2-b]pyridine-2-carboxylate (CID 73349540) is methyl 3-amino-6-(2,3-dimethoxyphenoxy)thieno[3,2-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-6-(2,3-dimethoxyphenoxy)thieno[3,2-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-amino-6-(2,3-dimethoxyphenoxy)thieno[3,2-b]pyridine-2-carboxylate is COC(=O)c1sc2cc(Oc3cccc(OC)c3OC)cnc2c1N.
What is the InChIKey of methyl 3-amino-6-(2,3-dimethoxyphenoxy)thieno[3,2-b]pyridine-2-carboxylate?
The InChIKey is NMDMNCSLYUJGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5S/c1-21-10-5-4-6-11(15(10)22-2)24-9-7-12-14(19-8-9)13(18)16(25-12)17(20)23-3/h4-8H,18H2,1-3H3.
What are the key properties of methyl 3-amino-6-(2,3-dimethoxyphenoxy)thieno[3,2-b]pyridine-2-carboxylate?
methyl 3-amino-6-(2,3-dimethoxyphenoxy)thieno[3,2-b]pyridine-2-carboxylate has a molecular weight of 360.39 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-6-(2,3-dimethoxyphenoxy)thieno[3,2-b]pyridine-2-carboxylate is sourced from PubChem (CID 73349540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).