methyl 3-amino-6-(4-methoxyanilino)thieno[3,2-b]pyridine-2-carboxylate

C16H15N3O3S — CID 50906649

IUPACmethyl 3-amino-6-(4-methoxyanilino)thieno[3,2-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2cc(Nc3ccc(OC)cc3)cnc2c1N
InChIInChI=1S/C16H15N3O3S/c1-21-11-5-3-9(4-6-11)19-10-7-12-14(18-8-10)13(17)15(23-12)16(20)22-2/h3-8,19H,17H2,1-2H3
InChIKeySCAFSSVMFXYZIX-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.42
Rot. Bonds4

About methyl 3-amino-6-(4-methoxyanilino)thieno[3,2-b]pyridine-2-carboxylate

methyl 3-amino-6-(4-methoxyanilino)thieno[3,2-b]pyridine-2-carboxylate (PubChem CID 50906649) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is methyl 3-amino-6-(4-methoxyanilino)thieno[3,2-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-6-(4-methoxyanilino)thieno[3,2-b]pyridine-2-carboxylate
PubChem CID50906649
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Namemethyl 3-amino-6-(4-methoxyanilino)thieno[3,2-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2cc(Nc3ccc(OC)cc3)cnc2c1N
InChIInChI=1S/C16H15N3O3S/c1-21-11-5-3-9(4-6-11)19-10-7-12-14(18-8-10)13(17)15(23-12)16(20)22-2/h3-8,19H,17H2,1-2H3
InChIKeySCAFSSVMFXYZIX-UHFFFAOYSA-N
XLogP3.42
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-6-(4-methoxyanilino)thieno[3,2-b]pyridine-2-carboxylate?
The IUPAC name of methyl 3-amino-6-(4-methoxyanilino)thieno[3,2-b]pyridine-2-carboxylate (CID 50906649) is methyl 3-amino-6-(4-methoxyanilino)thieno[3,2-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-6-(4-methoxyanilino)thieno[3,2-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-amino-6-(4-methoxyanilino)thieno[3,2-b]pyridine-2-carboxylate is COC(=O)c1sc2cc(Nc3ccc(OC)cc3)cnc2c1N.
What is the InChIKey of methyl 3-amino-6-(4-methoxyanilino)thieno[3,2-b]pyridine-2-carboxylate?
The InChIKey is SCAFSSVMFXYZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-21-11-5-3-9(4-6-11)19-10-7-12-14(18-8-10)13(17)15(23-12)16(20)22-2/h3-8,19H,17H2,1-2H3.
What are the key properties of methyl 3-amino-6-(4-methoxyanilino)thieno[3,2-b]pyridine-2-carboxylate?
methyl 3-amino-6-(4-methoxyanilino)thieno[3,2-b]pyridine-2-carboxylate has a molecular weight of 329.38 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-6-(4-methoxyanilino)thieno[3,2-b]pyridine-2-carboxylate is sourced from PubChem (CID 50906649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).