methyl 3-amino-6-(3,5-dimethoxyphenyl)thieno[3,2-b]pyridine-2-carboxylate

C17H16N2O4S — CID 50905127

IUPACmethyl 3-amino-6-(3,5-dimethoxyphenyl)thieno[3,2-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2cc(-c3cc(OC)cc(OC)c3)cnc2c1N
InChIInChI=1S/C17H16N2O4S/c1-21-11-4-9(5-12(7-11)22-2)10-6-13-15(19-8-10)14(18)16(24-13)17(20)23-3/h4-8H,18H2,1-3H3
InChIKeyPEMYVIWCELOFFV-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.35
Rot. Bonds4

About methyl 3-amino-6-(3,5-dimethoxyphenyl)thieno[3,2-b]pyridine-2-carboxylate

methyl 3-amino-6-(3,5-dimethoxyphenyl)thieno[3,2-b]pyridine-2-carboxylate (PubChem CID 50905127) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is methyl 3-amino-6-(3,5-dimethoxyphenyl)thieno[3,2-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-6-(3,5-dimethoxyphenyl)thieno[3,2-b]pyridine-2-carboxylate
PubChem CID50905127
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Namemethyl 3-amino-6-(3,5-dimethoxyphenyl)thieno[3,2-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2cc(-c3cc(OC)cc(OC)c3)cnc2c1N
InChIInChI=1S/C17H16N2O4S/c1-21-11-4-9(5-12(7-11)22-2)10-6-13-15(19-8-10)14(18)16(24-13)17(20)23-3/h4-8H,18H2,1-3H3
InChIKeyPEMYVIWCELOFFV-UHFFFAOYSA-N
XLogP3.35
TPSA83.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-6-(3,5-dimethoxyphenyl)thieno[3,2-b]pyridine-2-carboxylate?
The IUPAC name of methyl 3-amino-6-(3,5-dimethoxyphenyl)thieno[3,2-b]pyridine-2-carboxylate (CID 50905127) is methyl 3-amino-6-(3,5-dimethoxyphenyl)thieno[3,2-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-6-(3,5-dimethoxyphenyl)thieno[3,2-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-amino-6-(3,5-dimethoxyphenyl)thieno[3,2-b]pyridine-2-carboxylate is COC(=O)c1sc2cc(-c3cc(OC)cc(OC)c3)cnc2c1N.
What is the InChIKey of methyl 3-amino-6-(3,5-dimethoxyphenyl)thieno[3,2-b]pyridine-2-carboxylate?
The InChIKey is PEMYVIWCELOFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-21-11-4-9(5-12(7-11)22-2)10-6-13-15(19-8-10)14(18)16(24-13)17(20)23-3/h4-8H,18H2,1-3H3.
What are the key properties of methyl 3-amino-6-(3,5-dimethoxyphenyl)thieno[3,2-b]pyridine-2-carboxylate?
methyl 3-amino-6-(3,5-dimethoxyphenyl)thieno[3,2-b]pyridine-2-carboxylate has a molecular weight of 344.39 g/mol, XLogP of 3.35, 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-(3,5-dimethoxyphenyl)thieno[3,2-b]pyridine-2-carboxylate is sourced from PubChem (CID 50905127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).