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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Related Compounds

Methyl 3-amino-6-[2-(4-methoxyphenyl)ethynyl]thieno[3,2-b]pyridine-2-carboxylate
CID 50994345
Methyl 3-amino-6-(3-methoxyphenoxy)thieno[3,2-b]pyridine-2-carboxylate
CID 73346513
Methyl 3-aminothieno[3,2-b]pyridine-2-carboxylate
CID 13793447
Methyl 3-amino-6-(4-methoxyphenyl)thieno[3,2-b]pyridine-2-carboxylate
CID 50905126
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-chloro-5-methoxyanilino)thieno[3,2-b]pyridine-2-carboxylate
CID 50906859
Methyl 3-amino-6-(pyridin-3-ylamino)thieno[3,2-b]pyridine-2-carboxylate
CID 50907062
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

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).