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

C16H14N2O4S — CID 73346513

IUPACmethyl 3-amino-6-(3-methoxyphenoxy)thieno[3,2-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2cc(Oc3cccc(OC)c3)cnc2c1N
InChIInChI=1S/C16H14N2O4S/c1-20-9-4-3-5-10(6-9)22-11-7-12-14(18-8-11)13(17)15(23-12)16(19)21-2/h3-8H,17H2,1-2H3
InChIKeyLNWHWXHLWXILDG-UHFFFAOYSA-N
MW330.37 g/mol
LogP3.47
Rot. Bonds4

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

methyl 3-amino-6-(3-methoxyphenoxy)thieno[3,2-b]pyridine-2-carboxylate (PubChem CID 73346513) has the molecular formula C16H14N2O4S and a molecular weight of 330.37 g/mol. Its IUPAC name is methyl 3-amino-6-(3-methoxyphenoxy)thieno[3,2-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-6-(3-methoxyphenoxy)thieno[3,2-b]pyridine-2-carboxylate
PubChem CID73346513
Molecular FormulaC16H14N2O4S
Molecular Weight330.37 g/mol
Exact Mass330.07
IUPAC Namemethyl 3-amino-6-(3-methoxyphenoxy)thieno[3,2-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2cc(Oc3cccc(OC)c3)cnc2c1N
InChIInChI=1S/C16H14N2O4S/c1-20-9-4-3-5-10(6-9)22-11-7-12-14(18-8-11)13(17)15(23-12)16(19)21-2/h3-8H,17H2,1-2H3
InChIKeyLNWHWXHLWXILDG-UHFFFAOYSA-N
XLogP3.47
TPSA83.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Methyl 3-amino-6-[2-(4-methoxyphenyl)ethynyl]thieno[3,2-b]pyridine-2-carboxylate
CID 50994345
Methyl 3-(2-amino-4-methoxyanilino)thieno[3,2-b]pyridine-2-carboxylate
CID 73357133
Methyl 3-amino-6-(2,3-dimethoxyphenoxy)thieno[3,2-b]pyridine-2-carboxylate
CID 73349540
Methyl 3-amino-6-(4-methoxyphenyl)thieno[3,2-b]pyridine-2-carboxylate
CID 50905126
Methyl 3-amino-6-(3,5-dimethoxyphenyl)thieno[3,2-b]pyridine-2-carboxylate
CID 50905127
Methyl 3-amino-6-(4-methoxyanilino)thieno[3,2-b]pyridine-2-carboxylate
CID 50906649
Methyl 3-amino-6-(2,4-dimethoxyanilino)thieno[3,2-b]pyridine-2-carboxylate
CID 50906856
Methyl 3-amino-6-(3,4-dimethoxyanilino)thieno[3,2-b]pyridine-2-carboxylate
CID 50906857
Methyl 3-amino-6-(3,5-dimethoxyanilino)thieno[3,2-b]pyridine-2-carboxylate
CID 50906858
Methyl 3-amino-6-[2-(2-methoxyphenyl)ethynyl]thieno[3,2-b]pyridine-2-carboxylate
CID 51031776
Methyl 3-amino-6-[2-(3-methoxyphenyl)ethynyl]thieno[3,2-b]pyridine-2-carboxylate
CID 51031777
Methyl 3-amino-6-methoxythieno[3,2-b]pyridine-2-carboxylate
CID 18796915

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-6-(3-methoxyphenoxy)thieno[3,2-b]pyridine-2-carboxylate?
The IUPAC name of methyl 3-amino-6-(3-methoxyphenoxy)thieno[3,2-b]pyridine-2-carboxylate (CID 73346513) is methyl 3-amino-6-(3-methoxyphenoxy)thieno[3,2-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-6-(3-methoxyphenoxy)thieno[3,2-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-amino-6-(3-methoxyphenoxy)thieno[3,2-b]pyridine-2-carboxylate is COC(=O)c1sc2cc(Oc3cccc(OC)c3)cnc2c1N.
What is the InChIKey of methyl 3-amino-6-(3-methoxyphenoxy)thieno[3,2-b]pyridine-2-carboxylate?
The InChIKey is LNWHWXHLWXILDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S/c1-20-9-4-3-5-10(6-9)22-11-7-12-14(18-8-11)13(17)15(23-12)16(19)21-2/h3-8H,17H2,1-2H3.
What are the key properties of methyl 3-amino-6-(3-methoxyphenoxy)thieno[3,2-b]pyridine-2-carboxylate?
methyl 3-amino-6-(3-methoxyphenoxy)thieno[3,2-b]pyridine-2-carboxylate has a molecular weight of 330.37 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-6-(3-methoxyphenoxy)thieno[3,2-b]pyridine-2-carboxylate is sourced from PubChem (CID 73346513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).