4-methyl-3-(3-oxo-3-piperazin-1-ylpropyl)-1,3-thiazol-2-one

C11H17N3O2S — CID 55069105

IUPAC4-methyl-3-(3-oxo-3-piperazin-1-ylpropyl)-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CCC(=O)N1CCNCC1
InChIInChI=1S/C11H17N3O2S/c1-9-8-17-11(16)14(9)5-2-10(15)13-6-3-12-4-7-13/h8,12H,2-7H2,1H3
InChIKeyLIMCVRXGWUGWDD-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.04
Rot. Bonds3

About 4-methyl-3-(3-oxo-3-piperazin-1-ylpropyl)-1,3-thiazol-2-one

4-methyl-3-(3-oxo-3-piperazin-1-ylpropyl)-1,3-thiazol-2-one (PubChem CID 55069105) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 4-methyl-3-(3-oxo-3-piperazin-1-ylpropyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-methyl-3-(3-oxo-3-piperazin-1-ylpropyl)-1,3-thiazol-2-one
PubChem CID55069105
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name4-methyl-3-(3-oxo-3-piperazin-1-ylpropyl)-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CCC(=O)N1CCNCC1
InChIInChI=1S/C11H17N3O2S/c1-9-8-17-11(16)14(9)5-2-10(15)13-6-3-12-4-7-13/h8,12H,2-7H2,1H3
InChIKeyLIMCVRXGWUGWDD-UHFFFAOYSA-N
XLogP0.04
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methyl-3-(3-oxo-3-piperazin-1-ylpropyl)-1,3-thiazol-2-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

4-Methyl-3-[3-oxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]-1,3-thiazol-2-one
CID 60359968
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 120811256
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide
CID 120811257
N-cyclopropyl-2-[4-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperazin-1-yl]acetamide
CID 17401099
N-(2,3-dihydro-1,3-thiazol-4-ylmethyl)-N-methylpropanamide
CID 129309953
ethane;methanethiol;3-(4-methylpiperazin-1-yl)-N-prop-1-en-2-ylpropanamide
CID 143287655
N-(3-methylbutan-2-yl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 17402743
2-[4-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 18156855
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
CID 18157108
2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-N-propylacetamide
CID 18162789
N-butyl-2-[4-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperazin-1-yl]acetamide
CID 18163268
N-[(2R)-3-methylbutan-2-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 25401106

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(3-oxo-3-piperazin-1-ylpropyl)-1,3-thiazol-2-one?
The IUPAC name of 4-methyl-3-(3-oxo-3-piperazin-1-ylpropyl)-1,3-thiazol-2-one (CID 55069105) is 4-methyl-3-(3-oxo-3-piperazin-1-ylpropyl)-1,3-thiazol-2-one.
What is the SMILES notation for 4-methyl-3-(3-oxo-3-piperazin-1-ylpropyl)-1,3-thiazol-2-one?
The canonical SMILES for 4-methyl-3-(3-oxo-3-piperazin-1-ylpropyl)-1,3-thiazol-2-one is Cc1csc(=O)n1CCC(=O)N1CCNCC1.
What is the InChIKey of 4-methyl-3-(3-oxo-3-piperazin-1-ylpropyl)-1,3-thiazol-2-one?
The InChIKey is LIMCVRXGWUGWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-9-8-17-11(16)14(9)5-2-10(15)13-6-3-12-4-7-13/h8,12H,2-7H2,1H3.
What are the key properties of 4-methyl-3-(3-oxo-3-piperazin-1-ylpropyl)-1,3-thiazol-2-one?
4-methyl-3-(3-oxo-3-piperazin-1-ylpropyl)-1,3-thiazol-2-one has a molecular weight of 255.34 g/mol, XLogP of 0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(3-oxo-3-piperazin-1-ylpropyl)-1,3-thiazol-2-one is sourced from PubChem (CID 55069105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).