4-amino-2-methoxy-3-methyl-7H-thieno[3,2-c]pyridin-6-one

C9H10N2O2S — CID 58429449

IUPAC4-amino-2-methoxy-3-methyl-7H-thieno[3,2-c]pyridin-6-one
SMILESCOc1sc2c(c1C)C(N)=NC(=O)C2
InChIInChI=1S/C9H10N2O2S/c1-4-7-5(14-9(4)13-2)3-6(12)11-8(7)10/h3H2,1-2H3,(H2,10,11,12)
InChIKeySWVJDUOPIBQUMS-UHFFFAOYSA-N
MW210.26 g/mol
LogP0.85
Rot. Bonds1

About 4-amino-2-methoxy-3-methyl-7H-thieno[3,2-c]pyridin-6-one

4-amino-2-methoxy-3-methyl-7H-thieno[3,2-c]pyridin-6-one (PubChem CID 58429449) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is 4-amino-2-methoxy-3-methyl-7H-thieno[3,2-c]pyridin-6-one.

Molecular Properties

Compound Name4-amino-2-methoxy-3-methyl-7H-thieno[3,2-c]pyridin-6-one
PubChem CID58429449
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Name4-amino-2-methoxy-3-methyl-7H-thieno[3,2-c]pyridin-6-one
SMILESCOc1sc2c(c1C)C(N)=NC(=O)C2
InChIInChI=1S/C9H10N2O2S/c1-4-7-5(14-9(4)13-2)3-6(12)11-8(7)10/h3H2,1-2H3,(H2,10,11,12)
InChIKeySWVJDUOPIBQUMS-UHFFFAOYSA-N
XLogP0.85
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methoxy-3-methyl-7H-thieno[3,2-c]pyridin-6-one?
The IUPAC name of 4-amino-2-methoxy-3-methyl-7H-thieno[3,2-c]pyridin-6-one (CID 58429449) is 4-amino-2-methoxy-3-methyl-7H-thieno[3,2-c]pyridin-6-one.
What is the SMILES notation for 4-amino-2-methoxy-3-methyl-7H-thieno[3,2-c]pyridin-6-one?
The canonical SMILES for 4-amino-2-methoxy-3-methyl-7H-thieno[3,2-c]pyridin-6-one is COc1sc2c(c1C)C(N)=NC(=O)C2.
What is the InChIKey of 4-amino-2-methoxy-3-methyl-7H-thieno[3,2-c]pyridin-6-one?
The InChIKey is SWVJDUOPIBQUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c1-4-7-5(14-9(4)13-2)3-6(12)11-8(7)10/h3H2,1-2H3,(H2,10,11,12).
What are the key properties of 4-amino-2-methoxy-3-methyl-7H-thieno[3,2-c]pyridin-6-one?
4-amino-2-methoxy-3-methyl-7H-thieno[3,2-c]pyridin-6-one has a molecular weight of 210.26 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methoxy-3-methyl-7H-thieno[3,2-c]pyridin-6-one is sourced from PubChem (CID 58429449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).