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

C17H17N3O4S — CID 50906858

IUPACmethyl 3-amino-6-(3,5-dimethoxyanilino)thieno[3,2-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2cc(Nc3cc(OC)cc(OC)c3)cnc2c1N
InChIInChI=1S/C17H17N3O4S/c1-22-11-4-9(5-12(7-11)23-2)20-10-6-13-15(19-8-10)14(18)16(25-13)17(21)24-3/h4-8,20H,18H2,1-3H3
InChIKeyMEDUWXYHEKEVIL-UHFFFAOYSA-N
MW359.41 g/mol
LogP3.43
Rot. Bonds5

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

methyl 3-amino-6-(3,5-dimethoxyanilino)thieno[3,2-b]pyridine-2-carboxylate (PubChem CID 50906858) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is methyl 3-amino-6-(3,5-dimethoxyanilino)thieno[3,2-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-6-(3,5-dimethoxyanilino)thieno[3,2-b]pyridine-2-carboxylate
PubChem CID50906858
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC Namemethyl 3-amino-6-(3,5-dimethoxyanilino)thieno[3,2-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2cc(Nc3cc(OC)cc(OC)c3)cnc2c1N
InChIInChI=1S/C17H17N3O4S/c1-22-11-4-9(5-12(7-11)23-2)20-10-6-13-15(19-8-10)14(18)16(25-13)17(21)24-3/h4-8,20H,18H2,1-3H3
InChIKeyMEDUWXYHEKEVIL-UHFFFAOYSA-N
XLogP3.43
TPSA95.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-6-(3,5-dimethoxyanilino)thieno[3,2-b]pyridine-2-carboxylate?
The IUPAC name of methyl 3-amino-6-(3,5-dimethoxyanilino)thieno[3,2-b]pyridine-2-carboxylate (CID 50906858) is methyl 3-amino-6-(3,5-dimethoxyanilino)thieno[3,2-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-6-(3,5-dimethoxyanilino)thieno[3,2-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-amino-6-(3,5-dimethoxyanilino)thieno[3,2-b]pyridine-2-carboxylate is COC(=O)c1sc2cc(Nc3cc(OC)cc(OC)c3)cnc2c1N.
What is the InChIKey of methyl 3-amino-6-(3,5-dimethoxyanilino)thieno[3,2-b]pyridine-2-carboxylate?
The InChIKey is MEDUWXYHEKEVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-22-11-4-9(5-12(7-11)23-2)20-10-6-13-15(19-8-10)14(18)16(25-13)17(21)24-3/h4-8,20H,18H2,1-3H3.
What are the key properties of methyl 3-amino-6-(3,5-dimethoxyanilino)thieno[3,2-b]pyridine-2-carboxylate?
methyl 3-amino-6-(3,5-dimethoxyanilino)thieno[3,2-b]pyridine-2-carboxylate has a molecular weight of 359.41 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-6-(3,5-dimethoxyanilino)thieno[3,2-b]pyridine-2-carboxylate is sourced from PubChem (CID 50906858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).