1-oxidothieno[3,4-c][1,5]naphthyridin-1-ium

C10H6N2OS — CID 901683

IUPAC1-oxidothieno[3,4-c][1,5]naphthyridin-1-ium
SMILES[O-][n+]1cccc2ncc3cscc3c21
InChIInChI=1S/C10H6N2OS/c13-12-3-1-2-9-10(12)8-6-14-5-7(8)4-11-9/h1-6H
InChIKeyDCSRUEAKYVWONR-UHFFFAOYSA-N
MW202.24 g/mol
LogP2.08
Rot. Bonds

About 1-oxidothieno[3,4-c][1,5]naphthyridin-1-ium

1-oxidothieno[3,4-c][1,5]naphthyridin-1-ium (PubChem CID 901683) has the molecular formula C10H6N2OS and a molecular weight of 202.24 g/mol. Its IUPAC name is 1-oxidothieno[3,4-c][1,5]naphthyridin-1-ium.

Molecular Properties

Compound Name1-oxidothieno[3,4-c][1,5]naphthyridin-1-ium
PubChem CID901683
Molecular FormulaC10H6N2OS
Molecular Weight202.24 g/mol
Exact Mass202.02
IUPAC Name1-oxidothieno[3,4-c][1,5]naphthyridin-1-ium
SMILES[O-][n+]1cccc2ncc3cscc3c21
InChIInChI=1S/C10H6N2OS/c13-12-3-1-2-9-10(12)8-6-14-5-7(8)4-11-9/h1-6H
InChIKeyDCSRUEAKYVWONR-UHFFFAOYSA-N
XLogP2.08
TPSA39.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-oxidothieno[3,4-c][1,5]naphthyridin-1-ium?
The IUPAC name of 1-oxidothieno[3,4-c][1,5]naphthyridin-1-ium (CID 901683) is 1-oxidothieno[3,4-c][1,5]naphthyridin-1-ium.
What is the SMILES notation for 1-oxidothieno[3,4-c][1,5]naphthyridin-1-ium?
The canonical SMILES for 1-oxidothieno[3,4-c][1,5]naphthyridin-1-ium is [O-][n+]1cccc2ncc3cscc3c21.
What is the InChIKey of 1-oxidothieno[3,4-c][1,5]naphthyridin-1-ium?
The InChIKey is DCSRUEAKYVWONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2OS/c13-12-3-1-2-9-10(12)8-6-14-5-7(8)4-11-9/h1-6H.
What are the key properties of 1-oxidothieno[3,4-c][1,5]naphthyridin-1-ium?
1-oxidothieno[3,4-c][1,5]naphthyridin-1-ium has a molecular weight of 202.24 g/mol, XLogP of 2.08, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxidothieno[3,4-c][1,5]naphthyridin-1-ium is sourced from PubChem (CID 901683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).