2-(4-pyridin-2-ylpiperazin-1-yl)-5H-pyrimido[4,5-b][1,4]thiazin-6-one

C15H16N6OS — CID 71005540

IUPAC2-(4-pyridin-2-ylpiperazin-1-yl)-5H-pyrimido[4,5-b][1,4]thiazin-6-one
SMILESO=C1CSc2nc(N3CCN(c4ccccn4)CC3)ncc2N1
InChIInChI=1S/C15H16N6OS/c22-13-10-23-14-11(18-13)9-17-15(19-14)21-7-5-20(6-8-21)12-3-1-2-4-16-12/h1-4,9H,5-8,10H2,(H,18,22)
InChIKeyJSKGWKLDZBHXRJ-UHFFFAOYSA-N
MW328.40 g/mol
LogP1.24
Rot. Bonds2

About 2-(4-pyridin-2-ylpiperazin-1-yl)-5H-pyrimido[4,5-b][1,4]thiazin-6-one

2-(4-pyridin-2-ylpiperazin-1-yl)-5H-pyrimido[4,5-b][1,4]thiazin-6-one (PubChem CID 71005540) has the molecular formula C15H16N6OS and a molecular weight of 328.40 g/mol. Its IUPAC name is 2-(4-pyridin-2-ylpiperazin-1-yl)-5H-pyrimido[4,5-b][1,4]thiazin-6-one.

Molecular Properties

Compound Name2-(4-pyridin-2-ylpiperazin-1-yl)-5H-pyrimido[4,5-b][1,4]thiazin-6-one
PubChem CID71005540
Molecular FormulaC15H16N6OS
Molecular Weight328.40 g/mol
Exact Mass328.11
IUPAC Name2-(4-pyridin-2-ylpiperazin-1-yl)-5H-pyrimido[4,5-b][1,4]thiazin-6-one
SMILESO=C1CSc2nc(N3CCN(c4ccccn4)CC3)ncc2N1
InChIInChI=1S/C15H16N6OS/c22-13-10-23-14-11(18-13)9-17-15(19-14)21-7-5-20(6-8-21)12-3-1-2-4-16-12/h1-4,9H,5-8,10H2,(H,18,22)
InChIKeyJSKGWKLDZBHXRJ-UHFFFAOYSA-N
XLogP1.24
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(4-pyridin-2-ylpiperazin-1-yl)-5H-pyrimido[4,5-b][1,4]thiazin-6-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

(5Z)-5-[[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]thiolane-2,4-dione
CID 58312796
1-fluoro-4-pyridin-2-ylpiperazine
CID 143401045
2-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]-5H-pyrrolo[2,3-b]pyrazine
CID 141293375
1-[4-(3,5-diaminopiperidin-1-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]piperidine-3,5-diamine
CID 21103668
(3R,5S)-1-[4-[(3R,5S)-3,5-diaminopiperidin-1-yl]-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]piperidine-3,5-diamine
CID 58949154
methanamine;1-methyl-4-pyridin-2-ylpiperazine
CID 145148686
7-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 46341334
(5Z)-5-[[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine
CID 67209159
1-(4-fluorophenyl)-3-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]urea
CID 121112892
2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine
CID 4907991
1-chloro-4-pyridin-2-ylpiperazine
CID 130280526
4-pyridin-2-ylpiperazine-1-carbaldehyde;hydrochloride
CID 135186029

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyridin-2-ylpiperazin-1-yl)-5H-pyrimido[4,5-b][1,4]thiazin-6-one?
The IUPAC name of 2-(4-pyridin-2-ylpiperazin-1-yl)-5H-pyrimido[4,5-b][1,4]thiazin-6-one (CID 71005540) is 2-(4-pyridin-2-ylpiperazin-1-yl)-5H-pyrimido[4,5-b][1,4]thiazin-6-one.
What is the SMILES notation for 2-(4-pyridin-2-ylpiperazin-1-yl)-5H-pyrimido[4,5-b][1,4]thiazin-6-one?
The canonical SMILES for 2-(4-pyridin-2-ylpiperazin-1-yl)-5H-pyrimido[4,5-b][1,4]thiazin-6-one is O=C1CSc2nc(N3CCN(c4ccccn4)CC3)ncc2N1.
What is the InChIKey of 2-(4-pyridin-2-ylpiperazin-1-yl)-5H-pyrimido[4,5-b][1,4]thiazin-6-one?
The InChIKey is JSKGWKLDZBHXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6OS/c22-13-10-23-14-11(18-13)9-17-15(19-14)21-7-5-20(6-8-21)12-3-1-2-4-16-12/h1-4,9H,5-8,10H2,(H,18,22).
What are the key properties of 2-(4-pyridin-2-ylpiperazin-1-yl)-5H-pyrimido[4,5-b][1,4]thiazin-6-one?
2-(4-pyridin-2-ylpiperazin-1-yl)-5H-pyrimido[4,5-b][1,4]thiazin-6-one has a molecular weight of 328.40 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyridin-2-ylpiperazin-1-yl)-5H-pyrimido[4,5-b][1,4]thiazin-6-one is sourced from PubChem (CID 71005540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).