2-piperazin-1-yl-1,3-thiazol-4-one

C7H11N3OS — CID 67314845

IUPAC2-piperazin-1-yl-1,3-thiazol-4-one
SMILESO=C1CSC(N2CCNCC2)=N1
InChIInChI=1S/C7H11N3OS/c11-6-5-12-7(9-6)10-3-1-8-2-4-10/h8H,1-5H2
InChIKeyICZQCHOINRHPJW-UHFFFAOYSA-N
MW185.25 g/mol
LogP-0.48
Rot. Bonds

About 2-piperazin-1-yl-1,3-thiazol-4-one

2-piperazin-1-yl-1,3-thiazol-4-one (PubChem CID 67314845) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is 2-piperazin-1-yl-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-piperazin-1-yl-1,3-thiazol-4-one
PubChem CID67314845
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC Name2-piperazin-1-yl-1,3-thiazol-4-one
SMILESO=C1CSC(N2CCNCC2)=N1
InChIInChI=1S/C7H11N3OS/c11-6-5-12-7(9-6)10-3-1-8-2-4-10/h8H,1-5H2
InChIKeyICZQCHOINRHPJW-UHFFFAOYSA-N
XLogP-0.48
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-1,3-thiazol-4-one?
The IUPAC name of 2-piperazin-1-yl-1,3-thiazol-4-one (CID 67314845) is 2-piperazin-1-yl-1,3-thiazol-4-one.
What is the SMILES notation for 2-piperazin-1-yl-1,3-thiazol-4-one?
The canonical SMILES for 2-piperazin-1-yl-1,3-thiazol-4-one is O=C1CSC(N2CCNCC2)=N1.
What is the InChIKey of 2-piperazin-1-yl-1,3-thiazol-4-one?
The InChIKey is ICZQCHOINRHPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS/c11-6-5-12-7(9-6)10-3-1-8-2-4-10/h8H,1-5H2.
What are the key properties of 2-piperazin-1-yl-1,3-thiazol-4-one?
2-piperazin-1-yl-1,3-thiazol-4-one has a molecular weight of 185.25 g/mol, XLogP of -0.48, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-1,3-thiazol-4-one is sourced from PubChem (CID 67314845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).