tert-butyl 5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxylate

C19H16N2O3S — CID 25234120

IUPACtert-butyl 5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxylate
SMILESCC(C)(C)OC(=O)c1c(=O)c2cccnc2n2c1sc1ccccc12
InChIInChI=1S/C19H16N2O3S/c1-19(2,3)24-18(23)14-15(22)11-7-6-10-20-16(11)21-12-8-4-5-9-13(12)25-17(14)21/h4-10H,1-3H3
InChIKeyWGIOXCXEATWHTI-UHFFFAOYSA-N
MW352.42 g/mol
LogP4.02
Rot. Bonds1

About tert-butyl 5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxylate

tert-butyl 5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxylate (PubChem CID 25234120) has the molecular formula C19H16N2O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is tert-butyl 5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxylate
PubChem CID25234120
Molecular FormulaC19H16N2O3S
Molecular Weight352.42 g/mol
Exact Mass352.09
IUPAC Nametert-butyl 5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxylate
SMILESCC(C)(C)OC(=O)c1c(=O)c2cccnc2n2c1sc1ccccc12
InChIInChI=1S/C19H16N2O3S/c1-19(2,3)24-18(23)14-15(22)11-7-6-10-20-16(11)21-12-8-4-5-9-13(12)25-17(14)21/h4-10H,1-3H3
InChIKeyWGIOXCXEATWHTI-UHFFFAOYSA-N
XLogP4.02
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxylate?
The IUPAC name of tert-butyl 5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxylate (CID 25234120) is tert-butyl 5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxylate.
What is the SMILES notation for tert-butyl 5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxylate?
The canonical SMILES for tert-butyl 5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxylate is CC(C)(C)OC(=O)c1c(=O)c2cccnc2n2c1sc1ccccc12.
What is the InChIKey of tert-butyl 5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxylate?
The InChIKey is WGIOXCXEATWHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3S/c1-19(2,3)24-18(23)14-15(22)11-7-6-10-20-16(11)21-12-8-4-5-9-13(12)25-17(14)21/h4-10H,1-3H3.
What are the key properties of tert-butyl 5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxylate?
tert-butyl 5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxylate has a molecular weight of 352.42 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxylate is sourced from PubChem (CID 25234120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).