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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1,3-benzothiazol-2-yl)-2-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]-6-[[(3R)-piperidin-3-yl]amino]-1,3-diazinan-4-one
CID 134612223
7-Piperazin-1-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrano[2,3-b]pyridin-2-one
CID 71731151
7-Piperazin-1-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrano[2,3-b]pyridin-2-one;hydrochloride
CID 89783218
5-(1,3-benzothiazol-2-yl)-2-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]-4-[[(3R)-piperidin-3-yl]amino]-1H-pyrimidin-6-one
CID 136983820
Hypochlorous acid;7-piperazin-1-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrano[2,3-b]pyridin-2-one
CID 146191237
3-(1,3-Benzothiazol-2-yl)-7-(4-ethylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(1,3-benzothiazol-2-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(1,3-benzothiazol-2-yl)-7-(4-propylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(4-methyl-1,3-thiazol-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one;7-piperazin-1-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrano[2,3-b]pyridin-2-one
CID 158710260
N-[2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-oxochromene-3-carboxamide
CID 45515593
N-[2-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-oxochromene-3-carboxamide
CID 45516401
N-[2-[4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-oxochromene-3-carboxamide
CID 45516485
3-(4-(benzo[d]thiazol-2-yl)piperazine-1-carbonyl)-2H-chromen-2-one
CID 4054517
[2-[6-(4-Methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl] acetate
CID 67276495
3-(4-chloro-1,3-benzothiazol-2-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one
CID 71730246

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).