2-piperazin-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione

C10H14N4O2S — CID 70529851

IUPAC2-piperazin-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione
SMILESO=C1CC(=O)N2CC(C3CNCCN3)SC2=N1
InChIInChI=1S/C10H14N4O2S/c15-8-3-9(16)14-5-7(17-10(14)13-8)6-4-11-1-2-12-6/h6-7,11-12H,1-5H2
InChIKeyJCPUYRBBDATGPL-UHFFFAOYSA-N
MW254.31 g/mol
LogP-1.22
Rot. Bonds1

About 2-piperazin-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione

2-piperazin-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione (PubChem CID 70529851) has the molecular formula C10H14N4O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-piperazin-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione.

Molecular Properties

Compound Name2-piperazin-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione
PubChem CID70529851
Molecular FormulaC10H14N4O2S
Molecular Weight254.31 g/mol
Exact Mass254.08
IUPAC Name2-piperazin-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione
SMILESO=C1CC(=O)N2CC(C3CNCCN3)SC2=N1
InChIInChI=1S/C10H14N4O2S/c15-8-3-9(16)14-5-7(17-10(14)13-8)6-4-11-1-2-12-6/h6-7,11-12H,1-5H2
InChIKeyJCPUYRBBDATGPL-UHFFFAOYSA-N
XLogP-1.22
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-piperazin-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione with MolForge

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Related Compounds

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CID 166785001
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CID 91107101
2-pyrrolidin-2-ylpiperazine
CID 163488411
2-(1-methylpyrrolidin-2-yl)piperazine
CID 174931045
2-cyclohexylpiperazine
CID 13489550
2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1,3-thiazol-4-one
CID 168660128
2-cyclohexylpiperazine;piperazine
CID 22400875
2-[8-(1,4,7-triazonan-2-yl)-1,5,9-triazacyclododec-2-yl]-1,4,7,10-tetrazacyclododecane
CID 126552740
2-cyclohexylpiperazine;hydrochloride
CID 156699610
bis(nickel(2+));2-(1,4,8,11-tetrazacyclotetradec-2-yl)-1,4,8,11-tetrazacyclotetradecane
CID 6395739
ethane;2-methylpiperazine;propane
CID 171563379
trans-(2S,8S)-2,8-dimethyl-1,4,7,10,13-pentazacyclopentadecane
CID 14942559

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione?
The IUPAC name of 2-piperazin-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione (CID 70529851) is 2-piperazin-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione.
What is the SMILES notation for 2-piperazin-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione?
The canonical SMILES for 2-piperazin-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione is O=C1CC(=O)N2CC(C3CNCCN3)SC2=N1.
What is the InChIKey of 2-piperazin-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione?
The InChIKey is JCPUYRBBDATGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S/c15-8-3-9(16)14-5-7(17-10(14)13-8)6-4-11-1-2-12-6/h6-7,11-12H,1-5H2.
What are the key properties of 2-piperazin-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione?
2-piperazin-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione has a molecular weight of 254.31 g/mol, XLogP of -1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione is sourced from PubChem (CID 70529851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).