2-butyl-5-oxido-[1,3]thiazolo[4,5-c][1,5]naphthyridin-5-ium

C13H13N3OS — CID 20633244

IUPAC2-butyl-5-oxido-[1,3]thiazolo[4,5-c][1,5]naphthyridin-5-ium
SMILESCCCCc1nc2c[n+]([O-])c3cccnc3c2s1
InChIInChI=1S/C13H13N3OS/c1-2-3-6-11-15-9-8-16(17)10-5-4-7-14-12(10)13(9)18-11/h4-5,7-8H,2-3,6H2,1H3
InChIKeyRTTFUZBPCCCNSV-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.82
Rot. Bonds3

About 2-butyl-5-oxido-[1,3]thiazolo[4,5-c][1,5]naphthyridin-5-ium

2-butyl-5-oxido-[1,3]thiazolo[4,5-c][1,5]naphthyridin-5-ium (PubChem CID 20633244) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-butyl-5-oxido-[1,3]thiazolo[4,5-c][1,5]naphthyridin-5-ium.

Molecular Properties

Compound Name2-butyl-5-oxido-[1,3]thiazolo[4,5-c][1,5]naphthyridin-5-ium
PubChem CID20633244
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name2-butyl-5-oxido-[1,3]thiazolo[4,5-c][1,5]naphthyridin-5-ium
SMILESCCCCc1nc2c[n+]([O-])c3cccnc3c2s1
InChIInChI=1S/C13H13N3OS/c1-2-3-6-11-15-9-8-16(17)10-5-4-7-14-12(10)13(9)18-11/h4-5,7-8H,2-3,6H2,1H3
InChIKeyRTTFUZBPCCCNSV-UHFFFAOYSA-N
XLogP2.82
TPSA52.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-butyl-5-oxido-[1,3]thiazolo[4,5-c][1,5]naphthyridin-5-ium?
The IUPAC name of 2-butyl-5-oxido-[1,3]thiazolo[4,5-c][1,5]naphthyridin-5-ium (CID 20633244) is 2-butyl-5-oxido-[1,3]thiazolo[4,5-c][1,5]naphthyridin-5-ium.
What is the SMILES notation for 2-butyl-5-oxido-[1,3]thiazolo[4,5-c][1,5]naphthyridin-5-ium?
The canonical SMILES for 2-butyl-5-oxido-[1,3]thiazolo[4,5-c][1,5]naphthyridin-5-ium is CCCCc1nc2c[n+]([O-])c3cccnc3c2s1.
What is the InChIKey of 2-butyl-5-oxido-[1,3]thiazolo[4,5-c][1,5]naphthyridin-5-ium?
The InChIKey is RTTFUZBPCCCNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c1-2-3-6-11-15-9-8-16(17)10-5-4-7-14-12(10)13(9)18-11/h4-5,7-8H,2-3,6H2,1H3.
What are the key properties of 2-butyl-5-oxido-[1,3]thiazolo[4,5-c][1,5]naphthyridin-5-ium?
2-butyl-5-oxido-[1,3]thiazolo[4,5-c][1,5]naphthyridin-5-ium has a molecular weight of 259.33 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-oxido-[1,3]thiazolo[4,5-c][1,5]naphthyridin-5-ium is sourced from PubChem (CID 20633244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).