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

C16H15N3O3S — CID 73357133

IUPACmethyl 3-(2-amino-4-methoxyanilino)thieno[3,2-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2cccnc2c1Nc1ccc(OC)cc1N
InChIInChI=1S/C16H15N3O3S/c1-21-9-5-6-11(10(17)8-9)19-14-13-12(4-3-7-18-13)23-15(14)16(20)22-2/h3-8,19H,17H2,1-2H3
InChIKeyUBUVERBTSPNWBA-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.42
Rot. Bonds4

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

methyl 3-(2-amino-4-methoxyanilino)thieno[3,2-b]pyridine-2-carboxylate (PubChem CID 73357133) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is methyl 3-(2-amino-4-methoxyanilino)thieno[3,2-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-amino-4-methoxyanilino)thieno[3,2-b]pyridine-2-carboxylate
PubChem CID73357133
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Namemethyl 3-(2-amino-4-methoxyanilino)thieno[3,2-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2cccnc2c1Nc1ccc(OC)cc1N
InChIInChI=1S/C16H15N3O3S/c1-21-9-5-6-11(10(17)8-9)19-14-13-12(4-3-7-18-13)23-15(14)16(20)22-2/h3-8,19H,17H2,1-2H3
InChIKeyUBUVERBTSPNWBA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-amino-4-methoxyanilino)thieno[3,2-b]pyridine-2-carboxylate?
The IUPAC name of methyl 3-(2-amino-4-methoxyanilino)thieno[3,2-b]pyridine-2-carboxylate (CID 73357133) is methyl 3-(2-amino-4-methoxyanilino)thieno[3,2-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-(2-amino-4-methoxyanilino)thieno[3,2-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-(2-amino-4-methoxyanilino)thieno[3,2-b]pyridine-2-carboxylate is COC(=O)c1sc2cccnc2c1Nc1ccc(OC)cc1N.
What is the InChIKey of methyl 3-(2-amino-4-methoxyanilino)thieno[3,2-b]pyridine-2-carboxylate?
The InChIKey is UBUVERBTSPNWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-21-9-5-6-11(10(17)8-9)19-14-13-12(4-3-7-18-13)23-15(14)16(20)22-2/h3-8,19H,17H2,1-2H3.
What are the key properties of methyl 3-(2-amino-4-methoxyanilino)thieno[3,2-b]pyridine-2-carboxylate?
methyl 3-(2-amino-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-(2-amino-4-methoxyanilino)thieno[3,2-b]pyridine-2-carboxylate is sourced from PubChem (CID 73357133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).