1-(2-piperazin-2-yl-1,3-thiazol-4-yl)ethanone

C9H13N3OS — CID 58137929

IUPAC1-(2-piperazin-2-yl-1,3-thiazol-4-yl)ethanone
SMILESCC(=O)c1csc(C2CNCCN2)n1
InChIInChI=1S/C9H13N3OS/c1-6(13)8-5-14-9(12-8)7-4-10-2-3-11-7/h5,7,10-11H,2-4H2,1H3
InChIKeyGZVQHNSORVBZMN-UHFFFAOYSA-N
MW211.29 g/mol
LogP0.58
Rot. Bonds2

About 1-(2-piperazin-2-yl-1,3-thiazol-4-yl)ethanone

1-(2-piperazin-2-yl-1,3-thiazol-4-yl)ethanone (PubChem CID 58137929) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is 1-(2-piperazin-2-yl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(2-piperazin-2-yl-1,3-thiazol-4-yl)ethanone
PubChem CID58137929
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name1-(2-piperazin-2-yl-1,3-thiazol-4-yl)ethanone
SMILESCC(=O)c1csc(C2CNCCN2)n1
InChIInChI=1S/C9H13N3OS/c1-6(13)8-5-14-9(12-8)7-4-10-2-3-11-7/h5,7,10-11H,2-4H2,1H3
InChIKeyGZVQHNSORVBZMN-UHFFFAOYSA-N
XLogP0.58
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2-piperazin-2-yl-1,3-thiazol-4-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-piperazin-2-yl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-(2-piperazin-2-yl-1,3-thiazol-4-yl)ethanone (CID 58137929) is 1-(2-piperazin-2-yl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-(2-piperazin-2-yl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-(2-piperazin-2-yl-1,3-thiazol-4-yl)ethanone is CC(=O)c1csc(C2CNCCN2)n1.
What is the InChIKey of 1-(2-piperazin-2-yl-1,3-thiazol-4-yl)ethanone?
The InChIKey is GZVQHNSORVBZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c1-6(13)8-5-14-9(12-8)7-4-10-2-3-11-7/h5,7,10-11H,2-4H2,1H3.
What are the key properties of 1-(2-piperazin-2-yl-1,3-thiazol-4-yl)ethanone?
1-(2-piperazin-2-yl-1,3-thiazol-4-yl)ethanone has a molecular weight of 211.29 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperazin-2-yl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 58137929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).