5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carbonitrile

C15H7N3OS — CID 2398452

IUPAC5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carbonitrile
SMILESN#Cc1c(=O)c2cccnc2n2c1sc1ccccc12
InChIInChI=1S/C15H7N3OS/c16-8-10-13(19)9-4-3-7-17-14(9)18-11-5-1-2-6-12(11)20-15(10)18/h1-7H
InChIKeyHVDFRXKQICYANS-UHFFFAOYSA-N
MW277.31 g/mol
LogP2.93
Rot. Bonds

About 5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carbonitrile

5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carbonitrile (PubChem CID 2398452) has the molecular formula C15H7N3OS and a molecular weight of 277.31 g/mol. Its IUPAC name is 5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carbonitrile.

Molecular Properties

Compound Name5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carbonitrile
PubChem CID2398452
Molecular FormulaC15H7N3OS
Molecular Weight277.31 g/mol
Exact Mass277.03
IUPAC Name5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carbonitrile
SMILESN#Cc1c(=O)c2cccnc2n2c1sc1ccccc12
InChIInChI=1S/C15H7N3OS/c16-8-10-13(19)9-4-3-7-17-14(9)18-11-5-1-2-6-12(11)20-15(10)18/h1-7H
InChIKeyHVDFRXKQICYANS-UHFFFAOYSA-N
XLogP2.93
TPSA58.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carbonitrile?
The IUPAC name of 5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carbonitrile (CID 2398452) is 5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carbonitrile.
What is the SMILES notation for 5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carbonitrile?
The canonical SMILES for 5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carbonitrile is N#Cc1c(=O)c2cccnc2n2c1sc1ccccc12.
What is the InChIKey of 5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carbonitrile?
The InChIKey is HVDFRXKQICYANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7N3OS/c16-8-10-13(19)9-4-3-7-17-14(9)18-11-5-1-2-6-12(11)20-15(10)18/h1-7H.
What are the key properties of 5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carbonitrile?
5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carbonitrile has a molecular weight of 277.31 g/mol, XLogP of 2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carbonitrile is sourced from PubChem (CID 2398452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).