7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C16H17N5OS — CID 3279260

IUPAC7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CN2CCN(c3ccccn3)CC2)nc2sccn12
InChIInChI=1S/C16H17N5OS/c22-15-11-13(18-16-21(15)9-10-23-16)12-19-5-7-20(8-6-19)14-3-1-2-4-17-14/h1-4,9-11H,5-8,12H2
InChIKeyQGLWNDDYRZFJEK-UHFFFAOYSA-N
MW327.41 g/mol
LogP1.47
Rot. Bonds3

About 7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 3279260) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is 7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID3279260
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CN2CCN(c3ccccn3)CC2)nc2sccn12
InChIInChI=1S/C16H17N5OS/c22-15-11-13(18-16-21(15)9-10-23-16)12-19-5-7-20(8-6-19)14-3-1-2-4-17-14/h1-4,9-11H,5-8,12H2
InChIKeyQGLWNDDYRZFJEK-UHFFFAOYSA-N
XLogP1.47
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-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

Propiram
CID 26216
3-(2-(4-(2-Pyridyl)piperazin-1-yl)acetyl)thiazolidine (3b)
CID 91937922
1-[4-(Pyridin-2-yl)piperazin-1-yl]ethan-1-one
CID 572286
N-methyl-N-phenyl-4-(2-pyridinyl)-1-piperazinecarboxamide
CID 969696
3,7-Dimethyl-6-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 8087990
3-(6-Methyl-2-pyridyl)-2-(2-pyridyl)thiazolidin-4-one
CID 54578706
3-[4-(4-Pyridin-2-ylpiperazin-1-yl)butyl]-1,3-thiazolidine-2,4-dione
CID 13059831
1-[(Phenylthio)acetyl]-4-(2-pyridinyl)piperazine
CID 895068
N-ethyl-7-[[ethyl-(5-fluoro-2-pyridinyl)amino]methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
CID 118018062
Acetamide, N-(1-methyl-2-(1-piperidinyl)ethyl)-N-2-pyridinyl-
CID 27937
Propanamide, N-(2-(1-piperidinyl)propyl)-N-2-pyridinyl-
CID 3041469
(7Z)-3-phenyl-7-(pyridin-2-ylmethylidene)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
CID 1599396

Frequently Asked Questions

What is the IUPAC name of 7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 3279260) is 7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1cc(CN2CCN(c3ccccn3)CC2)nc2sccn12.
What is the InChIKey of 7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is QGLWNDDYRZFJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c22-15-11-13(18-16-21(15)9-10-23-16)12-19-5-7-20(8-6-19)14-3-1-2-4-17-14/h1-4,9-11H,5-8,12H2.
What are the key properties of 7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 327.41 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 3279260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).