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

C19H14N4OS — CID 146563581

IUPAC5-oxo-2-pyrrolidin-1-yl-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carbonitrile
SMILESN#Cc1c(=O)c2ccc(N3CCCC3)nc2n2c1sc1ccccc12
InChIInChI=1S/C19H14N4OS/c20-11-13-17(24)12-7-8-16(22-9-3-4-10-22)21-18(12)23-14-5-1-2-6-15(14)25-19(13)23/h1-2,5-8H,3-4,9-10H2
InChIKeyBAPGIJJKMZPQHO-UHFFFAOYSA-N
MW346.42 g/mol
LogP3.53
Rot. Bonds1

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

5-oxo-2-pyrrolidin-1-yl-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carbonitrile (PubChem CID 146563581) has the molecular formula C19H14N4OS and a molecular weight of 346.42 g/mol. Its IUPAC name is 5-oxo-2-pyrrolidin-1-yl-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carbonitrile.

Molecular Properties

Compound Name5-oxo-2-pyrrolidin-1-yl-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carbonitrile
PubChem CID146563581
Molecular FormulaC19H14N4OS
Molecular Weight346.42 g/mol
Exact Mass346.09
IUPAC Name5-oxo-2-pyrrolidin-1-yl-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carbonitrile
SMILESN#Cc1c(=O)c2ccc(N3CCCC3)nc2n2c1sc1ccccc12
InChIInChI=1S/C19H14N4OS/c20-11-13-17(24)12-7-8-16(22-9-3-4-10-22)21-18(12)23-14-5-1-2-6-15(14)25-19(13)23/h1-2,5-8H,3-4,9-10H2
InChIKeyBAPGIJJKMZPQHO-UHFFFAOYSA-N
XLogP3.53
TPSA61.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-2-pyrrolidin-1-yl-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carbonitrile?
The IUPAC name of 5-oxo-2-pyrrolidin-1-yl-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carbonitrile (CID 146563581) is 5-oxo-2-pyrrolidin-1-yl-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carbonitrile.
What is the SMILES notation for 5-oxo-2-pyrrolidin-1-yl-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carbonitrile?
The canonical SMILES for 5-oxo-2-pyrrolidin-1-yl-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carbonitrile is N#Cc1c(=O)c2ccc(N3CCCC3)nc2n2c1sc1ccccc12.
What is the InChIKey of 5-oxo-2-pyrrolidin-1-yl-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carbonitrile?
The InChIKey is BAPGIJJKMZPQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4OS/c20-11-13-17(24)12-7-8-16(22-9-3-4-10-22)21-18(12)23-14-5-1-2-6-15(14)25-19(13)23/h1-2,5-8H,3-4,9-10H2.
What are the key properties of 5-oxo-2-pyrrolidin-1-yl-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carbonitrile?
5-oxo-2-pyrrolidin-1-yl-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carbonitrile has a molecular weight of 346.42 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-2-pyrrolidin-1-yl-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carbonitrile is sourced from PubChem (CID 146563581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).