methyl 3-amino-6-phenylthieno[2,3-b]pyridine-2-carboxylate

C15H12N2O2S — CID 689249

IUPACmethyl 3-amino-6-phenylthieno[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2nc(-c3ccccc3)ccc2c1N
InChIInChI=1S/C15H12N2O2S/c1-19-15(18)13-12(16)10-7-8-11(17-14(10)20-13)9-5-3-2-4-6-9/h2-8H,16H2,1H3
InChIKeyKPMLJXXEONOCOH-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.33
Rot. Bonds2

About methyl 3-amino-6-phenylthieno[2,3-b]pyridine-2-carboxylate

methyl 3-amino-6-phenylthieno[2,3-b]pyridine-2-carboxylate (PubChem CID 689249) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is methyl 3-amino-6-phenylthieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-6-phenylthieno[2,3-b]pyridine-2-carboxylate
PubChem CID689249
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Namemethyl 3-amino-6-phenylthieno[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2nc(-c3ccccc3)ccc2c1N
InChIInChI=1S/C15H12N2O2S/c1-19-15(18)13-12(16)10-7-8-11(17-14(10)20-13)9-5-3-2-4-6-9/h2-8H,16H2,1H3
InChIKeyKPMLJXXEONOCOH-UHFFFAOYSA-N
XLogP3.33
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-6-phenylthieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of methyl 3-amino-6-phenylthieno[2,3-b]pyridine-2-carboxylate (CID 689249) is methyl 3-amino-6-phenylthieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-6-phenylthieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-amino-6-phenylthieno[2,3-b]pyridine-2-carboxylate is COC(=O)c1sc2nc(-c3ccccc3)ccc2c1N.
What is the InChIKey of methyl 3-amino-6-phenylthieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is KPMLJXXEONOCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c1-19-15(18)13-12(16)10-7-8-11(17-14(10)20-13)9-5-3-2-4-6-9/h2-8H,16H2,1H3.
What are the key properties of methyl 3-amino-6-phenylthieno[2,3-b]pyridine-2-carboxylate?
methyl 3-amino-6-phenylthieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 284.34 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-6-phenylthieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 689249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).