2-(3-oxopiperazin-1-yl)-1,3-thiazol-4-one

C7H9N3O2S — CID 141220416

IUPAC2-(3-oxopiperazin-1-yl)-1,3-thiazol-4-one
SMILESO=C1CSC(N2CCNC(=O)C2)=N1
InChIInChI=1S/C7H9N3O2S/c11-5-3-10(2-1-8-5)7-9-6(12)4-13-7/h1-4H2,(H,8,11)
InChIKeyOSEFCQXHJRPZDI-UHFFFAOYSA-N
MW199.23 g/mol
LogP-0.95
Rot. Bonds

About 2-(3-oxopiperazin-1-yl)-1,3-thiazol-4-one

2-(3-oxopiperazin-1-yl)-1,3-thiazol-4-one (PubChem CID 141220416) has the molecular formula C7H9N3O2S and a molecular weight of 199.23 g/mol. Its IUPAC name is 2-(3-oxopiperazin-1-yl)-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-(3-oxopiperazin-1-yl)-1,3-thiazol-4-one
PubChem CID141220416
Molecular FormulaC7H9N3O2S
Molecular Weight199.23 g/mol
Exact Mass199.04
IUPAC Name2-(3-oxopiperazin-1-yl)-1,3-thiazol-4-one
SMILESO=C1CSC(N2CCNC(=O)C2)=N1
InChIInChI=1S/C7H9N3O2S/c11-5-3-10(2-1-8-5)7-9-6(12)4-13-7/h1-4H2,(H,8,11)
InChIKeyOSEFCQXHJRPZDI-UHFFFAOYSA-N
XLogP-0.95
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 5-0.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-oxopiperazin-1-yl)-1,3-thiazol-4-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

2-Acetamido-N-(3-methyl-2-thiazolidinylidene)acetamide
CID 3049956
Piperazine, 1-(((4,5-dihydro-1H-imidazol-2-yl)thio)acetyl)-4-methyl-, dihydrochloride
CID 3063100
Piperazine, 1,4-bis(((4,5-dihydro-1H-imidazol-2-yl)thio)acetyl)-, dihydrochloride
CID 3063101
2-[(4,5-Dihydrothiazol-2-yl)amino]acetamide
CID 29068061
Piperazine, 1-[[(4,5-dihydro-1H-imidazol-2-yl)thio]acetyl]-4-methyl-
CID 1711689
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-[4-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetyl]piperazin-1-yl]ethanone
CID 3063102
2-(Piperazin-1-yl)-4,5-dihydro-1,3-thiazol-4-one
CID 67314845
2-acetamido-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide
CID 70598948
N-methyl-2-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]acetamide
CID 89440192
2-(4-Methyl-3-oxopiperazin-1-yl)-1,3-thiazol-4-one
CID 141220413
2-[3-(3-Oxopiperazin-1-yl)propylimino]-1,3-thiazolidin-4-one
CID 141220417
2-[2-(3-Oxopiperazin-1-yl)ethylimino]-1,3-thiazolidin-4-one
CID 141220419

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxopiperazin-1-yl)-1,3-thiazol-4-one?
The IUPAC name of 2-(3-oxopiperazin-1-yl)-1,3-thiazol-4-one (CID 141220416) is 2-(3-oxopiperazin-1-yl)-1,3-thiazol-4-one.
What is the SMILES notation for 2-(3-oxopiperazin-1-yl)-1,3-thiazol-4-one?
The canonical SMILES for 2-(3-oxopiperazin-1-yl)-1,3-thiazol-4-one is O=C1CSC(N2CCNC(=O)C2)=N1.
What is the InChIKey of 2-(3-oxopiperazin-1-yl)-1,3-thiazol-4-one?
The InChIKey is OSEFCQXHJRPZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2S/c11-5-3-10(2-1-8-5)7-9-6(12)4-13-7/h1-4H2,(H,8,11).
What are the key properties of 2-(3-oxopiperazin-1-yl)-1,3-thiazol-4-one?
2-(3-oxopiperazin-1-yl)-1,3-thiazol-4-one has a molecular weight of 199.23 g/mol, XLogP of -0.95, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxopiperazin-1-yl)-1,3-thiazol-4-one is sourced from PubChem (CID 141220416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).