[1,3]thiazolo[3,2-a][1,5]naphthyridin-10-ium

C10H7N2S+ — CID 57112831

IUPAC[1,3]thiazolo[3,2-a][1,5]naphthyridin-10-ium
SMILESc1cnc2ccc3scc[n+]3c2c1
InChIInChI=1S/C10H7N2S/c1-2-9-8(11-5-1)3-4-10-12(9)6-7-13-10/h1-7H/q+1
InChIKeyZRUXDCDOYIKMIU-UHFFFAOYSA-N
MW187.25 g/mol
LogP2.04
Rot. Bonds

About [1,3]thiazolo[3,2-a][1,5]naphthyridin-10-ium

[1,3]thiazolo[3,2-a][1,5]naphthyridin-10-ium (PubChem CID 57112831) has the molecular formula C10H7N2S+ and a molecular weight of 187.25 g/mol. Its IUPAC name is [1,3]thiazolo[3,2-a][1,5]naphthyridin-10-ium.

Molecular Properties

Compound Name[1,3]thiazolo[3,2-a][1,5]naphthyridin-10-ium
PubChem CID57112831
Molecular FormulaC10H7N2S+
Molecular Weight187.25 g/mol
Exact Mass187.03
IUPAC Name[1,3]thiazolo[3,2-a][1,5]naphthyridin-10-ium
SMILESc1cnc2ccc3scc[n+]3c2c1
InChIInChI=1S/C10H7N2S/c1-2-9-8(11-5-1)3-4-10-12(9)6-7-13-10/h1-7H/q+1
InChIKeyZRUXDCDOYIKMIU-UHFFFAOYSA-N
XLogP2.04
TPSA16.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1,3]thiazolo[3,2-a][1,5]naphthyridin-10-ium?
The IUPAC name of [1,3]thiazolo[3,2-a][1,5]naphthyridin-10-ium (CID 57112831) is [1,3]thiazolo[3,2-a][1,5]naphthyridin-10-ium.
What is the SMILES notation for [1,3]thiazolo[3,2-a][1,5]naphthyridin-10-ium?
The canonical SMILES for [1,3]thiazolo[3,2-a][1,5]naphthyridin-10-ium is c1cnc2ccc3scc[n+]3c2c1.
What is the InChIKey of [1,3]thiazolo[3,2-a][1,5]naphthyridin-10-ium?
The InChIKey is ZRUXDCDOYIKMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N2S/c1-2-9-8(11-5-1)3-4-10-12(9)6-7-13-10/h1-7H/q+1.
What are the key properties of [1,3]thiazolo[3,2-a][1,5]naphthyridin-10-ium?
[1,3]thiazolo[3,2-a][1,5]naphthyridin-10-ium has a molecular weight of 187.25 g/mol, XLogP of 2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3]thiazolo[3,2-a][1,5]naphthyridin-10-ium is sourced from PubChem (CID 57112831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).