methyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate

C11H12N2O2S — CID 753694

IUPACmethyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2nc(C)cc(C)c2c1N
InChIInChI=1S/C11H12N2O2S/c1-5-4-6(2)13-10-7(5)8(12)9(16-10)11(14)15-3/h4H,12H2,1-3H3
InChIKeyZMZJLJJFYBUPKH-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.28
Rot. Bonds1

About methyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate

methyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate (PubChem CID 753694) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is methyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
PubChem CID753694
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Namemethyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2nc(C)cc(C)c2c1N
InChIInChI=1S/C11H12N2O2S/c1-5-4-6(2)13-10-7(5)8(12)9(16-10)11(14)15-3/h4H,12H2,1-3H3
InChIKeyZMZJLJJFYBUPKH-UHFFFAOYSA-N
XLogP2.28
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of methyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate (CID 753694) is methyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate is COC(=O)c1sc2nc(C)cc(C)c2c1N.
What is the InChIKey of methyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is ZMZJLJJFYBUPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-5-4-6(2)13-10-7(5)8(12)9(16-10)11(14)15-3/h4H,12H2,1-3H3.
What are the key properties of methyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate?
methyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 236.30 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 753694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).