1-piperazin-1-yl-2-(1,3-thiazol-5-yl)ethanone

C9H13N3OS — CID 82508326

IUPAC1-piperazin-1-yl-2-(1,3-thiazol-5-yl)ethanone
SMILESO=C(Cc1cncs1)N1CCNCC1
InChIInChI=1S/C9H13N3OS/c13-9(5-8-6-11-7-14-8)12-3-1-10-2-4-12/h6-7,10H,1-5H2
InChIKeyWGGMSYNTXGOJMJ-UHFFFAOYSA-N
MW211.29 g/mol
LogP0.12
Rot. Bonds2

About 1-piperazin-1-yl-2-(1,3-thiazol-5-yl)ethanone

1-piperazin-1-yl-2-(1,3-thiazol-5-yl)ethanone (PubChem CID 82508326) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is 1-piperazin-1-yl-2-(1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-piperazin-1-yl-2-(1,3-thiazol-5-yl)ethanone
PubChem CID82508326
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name1-piperazin-1-yl-2-(1,3-thiazol-5-yl)ethanone
SMILESO=C(Cc1cncs1)N1CCNCC1
InChIInChI=1S/C9H13N3OS/c13-9(5-8-6-11-7-14-8)12-3-1-10-2-4-12/h6-7,10H,1-5H2
InChIKeyWGGMSYNTXGOJMJ-UHFFFAOYSA-N
XLogP0.12
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-piperazin-1-yl-2-(1,3-thiazol-5-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-piperazin-1-yl-2-(1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-piperazin-1-yl-2-(1,3-thiazol-5-yl)ethanone (CID 82508326) is 1-piperazin-1-yl-2-(1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-piperazin-1-yl-2-(1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-piperazin-1-yl-2-(1,3-thiazol-5-yl)ethanone is O=C(Cc1cncs1)N1CCNCC1.
What is the InChIKey of 1-piperazin-1-yl-2-(1,3-thiazol-5-yl)ethanone?
The InChIKey is WGGMSYNTXGOJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c13-9(5-8-6-11-7-14-8)12-3-1-10-2-4-12/h6-7,10H,1-5H2.
What are the key properties of 1-piperazin-1-yl-2-(1,3-thiazol-5-yl)ethanone?
1-piperazin-1-yl-2-(1,3-thiazol-5-yl)ethanone has a molecular weight of 211.29 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-2-(1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 82508326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).