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

C9H10N2O2S — CID 146886137

IUPAC4-imino-2-methoxy-3-methyl-7H-thieno[3,2-c]pyridin-6-one
SMILES[H]/N=C1\NC(=O)Cc2sc(OC)c(C)c21
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
LogP1.06
Rot. Bonds1

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

4-imino-2-methoxy-3-methyl-7H-thieno[3,2-c]pyridin-6-one (PubChem CID 146886137) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is 4-imino-2-methoxy-3-methyl-7H-thieno[3,2-c]pyridin-6-one.

Molecular Properties

Compound Name4-imino-2-methoxy-3-methyl-7H-thieno[3,2-c]pyridin-6-one
PubChem CID146886137
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Name4-imino-2-methoxy-3-methyl-7H-thieno[3,2-c]pyridin-6-one
SMILES[H]/N=C1\NC(=O)Cc2sc(OC)c(C)c21
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
XLogP1.06
TPSA62.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-imino-2-methoxy-3-methyl-7H-thieno[3,2-c]pyridin-6-one?
The IUPAC name of 4-imino-2-methoxy-3-methyl-7H-thieno[3,2-c]pyridin-6-one (CID 146886137) is 4-imino-2-methoxy-3-methyl-7H-thieno[3,2-c]pyridin-6-one.
What is the SMILES notation for 4-imino-2-methoxy-3-methyl-7H-thieno[3,2-c]pyridin-6-one?
The canonical SMILES for 4-imino-2-methoxy-3-methyl-7H-thieno[3,2-c]pyridin-6-one is [H]/N=C1\NC(=O)Cc2sc(OC)c(C)c21.
What is the InChIKey of 4-imino-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-imino-2-methoxy-3-methyl-7H-thieno[3,2-c]pyridin-6-one?
4-imino-2-methoxy-3-methyl-7H-thieno[3,2-c]pyridin-6-one has a molecular weight of 210.26 g/mol, XLogP of 1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-2-methoxy-3-methyl-7H-thieno[3,2-c]pyridin-6-one is sourced from PubChem (CID 146886137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).