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

C8H8N2O2S — CID 58443110

IUPAC4-amino-2-methoxy-7H-thieno[3,2-c]pyridin-6-one
SMILESCOc1cc2c(s1)CC(=O)N=C2N
InChIInChI=1S/C8H8N2O2S/c1-12-7-2-4-5(13-7)3-6(11)10-8(4)9/h2H,3H2,1H3,(H2,9,10,11)
InChIKeyGHVTUIHHYOLQSG-UHFFFAOYSA-N
MW196.23 g/mol
LogP0.54
Rot. Bonds1

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

4-amino-2-methoxy-7H-thieno[3,2-c]pyridin-6-one (PubChem CID 58443110) has the molecular formula C8H8N2O2S and a molecular weight of 196.23 g/mol. Its IUPAC name is 4-amino-2-methoxy-7H-thieno[3,2-c]pyridin-6-one.

Molecular Properties

Compound Name4-amino-2-methoxy-7H-thieno[3,2-c]pyridin-6-one
PubChem CID58443110
Molecular FormulaC8H8N2O2S
Molecular Weight196.23 g/mol
Exact Mass196.03
IUPAC Name4-amino-2-methoxy-7H-thieno[3,2-c]pyridin-6-one
SMILESCOc1cc2c(s1)CC(=O)N=C2N
InChIInChI=1S/C8H8N2O2S/c1-12-7-2-4-5(13-7)3-6(11)10-8(4)9/h2H,3H2,1H3,(H2,9,10,11)
InChIKeyGHVTUIHHYOLQSG-UHFFFAOYSA-N
XLogP0.54
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 50.54
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-7H-thieno[3,2-c]pyridin-6-one?
The IUPAC name of 4-amino-2-methoxy-7H-thieno[3,2-c]pyridin-6-one (CID 58443110) is 4-amino-2-methoxy-7H-thieno[3,2-c]pyridin-6-one.
What is the SMILES notation for 4-amino-2-methoxy-7H-thieno[3,2-c]pyridin-6-one?
The canonical SMILES for 4-amino-2-methoxy-7H-thieno[3,2-c]pyridin-6-one is COc1cc2c(s1)CC(=O)N=C2N.
What is the InChIKey of 4-amino-2-methoxy-7H-thieno[3,2-c]pyridin-6-one?
The InChIKey is GHVTUIHHYOLQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2S/c1-12-7-2-4-5(13-7)3-6(11)10-8(4)9/h2H,3H2,1H3,(H2,9,10,11).
What are the key properties of 4-amino-2-methoxy-7H-thieno[3,2-c]pyridin-6-one?
4-amino-2-methoxy-7H-thieno[3,2-c]pyridin-6-one has a molecular weight of 196.23 g/mol, XLogP of 0.54, 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-7H-thieno[3,2-c]pyridin-6-one is sourced from PubChem (CID 58443110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).