3-(1,3-benzothiazol-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one

C19H16N4O2S — CID 71730892

IUPAC3-(1,3-benzothiazol-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one
SMILESO=c1oc2nc(N3CCNCC3)ccc2cc1-c1nc2ccccc2s1
InChIInChI=1S/C19H16N4O2S/c24-19-13(18-21-14-3-1-2-4-15(14)26-18)11-12-5-6-16(22-17(12)25-19)23-9-7-20-8-10-23/h1-6,11,20H,7-10H2
InChIKeyLKCJLQRQALLCNM-UHFFFAOYSA-N
MW364.43 g/mol
LogP2.87
Rot. Bonds2

About 3-(1,3-benzothiazol-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one

3-(1,3-benzothiazol-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one (PubChem CID 71730892) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one
PubChem CID71730892
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC Name3-(1,3-benzothiazol-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one
SMILESO=c1oc2nc(N3CCNCC3)ccc2cc1-c1nc2ccccc2s1
InChIInChI=1S/C19H16N4O2S/c24-19-13(18-21-14-3-1-2-4-15(14)26-18)11-12-5-6-16(22-17(12)25-19)23-9-7-20-8-10-23/h1-6,11,20H,7-10H2
InChIKeyLKCJLQRQALLCNM-UHFFFAOYSA-N
XLogP2.87
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one?
The IUPAC name of 3-(1,3-benzothiazol-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one (CID 71730892) is 3-(1,3-benzothiazol-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one.
What is the SMILES notation for 3-(1,3-benzothiazol-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one?
The canonical SMILES for 3-(1,3-benzothiazol-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one is O=c1oc2nc(N3CCNCC3)ccc2cc1-c1nc2ccccc2s1.
What is the InChIKey of 3-(1,3-benzothiazol-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one?
The InChIKey is LKCJLQRQALLCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c24-19-13(18-21-14-3-1-2-4-15(14)26-18)11-12-5-6-16(22-17(12)25-19)23-9-7-20-8-10-23/h1-6,11,20H,7-10H2.
What are the key properties of 3-(1,3-benzothiazol-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one?
3-(1,3-benzothiazol-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one has a molecular weight of 364.43 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one is sourced from PubChem (CID 71730892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).