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

C10H14N4O2S — CID 70529850

IUPAC6-piperazin-1-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione
SMILESO=C1N=C2SCCN2C(=O)C1N1CCNCC1
InChIInChI=1S/C10H14N4O2S/c15-8-7(13-3-1-11-2-4-13)9(16)14-5-6-17-10(14)12-8/h7,11H,1-6H2
InChIKeyWVRWPWJNRWMQJT-UHFFFAOYSA-N
MW254.31 g/mol
LogP-1.27
Rot. Bonds1

About 6-piperazin-1-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione

6-piperazin-1-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione (PubChem CID 70529850) has the molecular formula C10H14N4O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is 6-piperazin-1-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione.

Molecular Properties

Compound Name6-piperazin-1-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione
PubChem CID70529850
Molecular FormulaC10H14N4O2S
Molecular Weight254.31 g/mol
Exact Mass254.08
IUPAC Name6-piperazin-1-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione
SMILESO=C1N=C2SCCN2C(=O)C1N1CCNCC1
InChIInChI=1S/C10H14N4O2S/c15-8-7(13-3-1-11-2-4-13)9(16)14-5-6-17-10(14)12-8/h7,11H,1-6H2
InChIKeyWVRWPWJNRWMQJT-UHFFFAOYSA-N
XLogP-1.27
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 5-1.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Acetamide, N-[3,4,5,6-tetrahydro-4,6-dioxo-2-[2-oxo-2-(1-piperidyl)ethylthio]-5-pyrimidinyl]-
CID 558452
N-[(5S)-4,6-dioxo-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-5-yl]acetamide
CID 672506
N-[(5R)-4,6-dioxo-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-5-yl]acetamide
CID 672507
6-Piperidin-1-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione
CID 20477353
6-(Hexylamino)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione
CID 20477354
6-(Methylamino)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione
CID 20477398
6-(Prop-2-enylamino)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione
CID 20477400
6-(Diethylamino)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione
CID 20477403
6-(Cyclopentylamino)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione
CID 20477413
6-(Ethylamino)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione
CID 20477417
6-(Cyclohexylamino)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione
CID 20477425
N-(5,7-dioxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide
CID 20477465

Frequently Asked Questions

What is the IUPAC name of 6-piperazin-1-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione?
The IUPAC name of 6-piperazin-1-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione (CID 70529850) is 6-piperazin-1-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione.
What is the SMILES notation for 6-piperazin-1-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione?
The canonical SMILES for 6-piperazin-1-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione is O=C1N=C2SCCN2C(=O)C1N1CCNCC1.
What is the InChIKey of 6-piperazin-1-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione?
The InChIKey is WVRWPWJNRWMQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S/c15-8-7(13-3-1-11-2-4-13)9(16)14-5-6-17-10(14)12-8/h7,11H,1-6H2.
What are the key properties of 6-piperazin-1-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione?
6-piperazin-1-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 -1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperazin-1-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione is sourced from PubChem (CID 70529850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).