methyl 3-amino-5-methoxy-6-methylthieno[2,3-b]pyridine-2-carboxylate

C11H12N2O3S — CID 155535717

IUPACmethyl 3-amino-5-methoxy-6-methylthieno[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2nc(C)c(OC)cc2c1N
InChIInChI=1S/C11H12N2O3S/c1-5-7(15-2)4-6-8(12)9(11(14)16-3)17-10(6)13-5/h4H,12H2,1-3H3
InChIKeyNJUDHXYYIVPHOK-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.98
Rot. Bonds2

About methyl 3-amino-5-methoxy-6-methylthieno[2,3-b]pyridine-2-carboxylate

methyl 3-amino-5-methoxy-6-methylthieno[2,3-b]pyridine-2-carboxylate (PubChem CID 155535717) has the molecular formula C11H12N2O3S and a molecular weight of 252.29 g/mol. Its IUPAC name is methyl 3-amino-5-methoxy-6-methylthieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-methoxy-6-methylthieno[2,3-b]pyridine-2-carboxylate
PubChem CID155535717
Molecular FormulaC11H12N2O3S
Molecular Weight252.29 g/mol
Exact Mass252.06
IUPAC Namemethyl 3-amino-5-methoxy-6-methylthieno[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2nc(C)c(OC)cc2c1N
InChIInChI=1S/C11H12N2O3S/c1-5-7(15-2)4-6-8(12)9(11(14)16-3)17-10(6)13-5/h4H,12H2,1-3H3
InChIKeyNJUDHXYYIVPHOK-UHFFFAOYSA-N
XLogP1.98
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-methoxy-6-methylthieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of methyl 3-amino-5-methoxy-6-methylthieno[2,3-b]pyridine-2-carboxylate (CID 155535717) is methyl 3-amino-5-methoxy-6-methylthieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-5-methoxy-6-methylthieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-amino-5-methoxy-6-methylthieno[2,3-b]pyridine-2-carboxylate is COC(=O)c1sc2nc(C)c(OC)cc2c1N.
What is the InChIKey of methyl 3-amino-5-methoxy-6-methylthieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is NJUDHXYYIVPHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-5-7(15-2)4-6-8(12)9(11(14)16-3)17-10(6)13-5/h4H,12H2,1-3H3.
What are the key properties of methyl 3-amino-5-methoxy-6-methylthieno[2,3-b]pyridine-2-carboxylate?
methyl 3-amino-5-methoxy-6-methylthieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 252.29 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-methoxy-6-methylthieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 155535717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).