methyl 3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxylate

C12H14N2O3S — CID 613092

IUPACmethyl 3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxylate
SMILESCOCc1cc(C)nc2sc(C(=O)OC)c(N)c12
InChIInChI=1S/C12H14N2O3S/c1-6-4-7(5-16-2)8-9(13)10(12(15)17-3)18-11(8)14-6/h4H,5,13H2,1-3H3
InChIKeySZGVOSLMLBHQDE-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.12
Rot. Bonds3

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

methyl 3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxylate (PubChem CID 613092) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is methyl 3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxylate
PubChem CID613092
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Namemethyl 3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxylate
SMILESCOCc1cc(C)nc2sc(C(=O)OC)c(N)c12
InChIInChI=1S/C12H14N2O3S/c1-6-4-7(5-16-2)8-9(13)10(12(15)17-3)18-11(8)14-6/h4H,5,13H2,1-3H3
InChIKeySZGVOSLMLBHQDE-UHFFFAOYSA-N
XLogP2.12
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of methyl 3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxylate (CID 613092) is methyl 3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxylate is COCc1cc(C)nc2sc(C(=O)OC)c(N)c12.
What is the InChIKey of methyl 3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is SZGVOSLMLBHQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-6-4-7(5-16-2)8-9(13)10(12(15)17-3)18-11(8)14-6/h4H,5,13H2,1-3H3.
What are the key properties of methyl 3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxylate?
methyl 3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 266.32 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 613092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).