piperazin-1-yl(thiadiazol-5-yl)methanone

C7H10N4OS — CID 43522600

IUPACpiperazin-1-yl(thiadiazol-5-yl)methanone
SMILESO=C(c1cnns1)N1CCNCC1
InChIInChI=1S/C7H10N4OS/c12-7(6-5-9-10-13-6)11-3-1-8-2-4-11/h5,8H,1-4H2
InChIKeyRLJJDCXHLZJGCU-UHFFFAOYSA-N
MW198.25 g/mol
LogP-0.42
Rot. Bonds1

About piperazin-1-yl(thiadiazol-5-yl)methanone

piperazin-1-yl(thiadiazol-5-yl)methanone (PubChem CID 43522600) has the molecular formula C7H10N4OS and a molecular weight of 198.25 g/mol. Its IUPAC name is piperazin-1-yl(thiadiazol-5-yl)methanone.

Molecular Properties

Compound Namepiperazin-1-yl(thiadiazol-5-yl)methanone
PubChem CID43522600
Molecular FormulaC7H10N4OS
Molecular Weight198.25 g/mol
Exact Mass198.06
IUPAC Namepiperazin-1-yl(thiadiazol-5-yl)methanone
SMILESO=C(c1cnns1)N1CCNCC1
InChIInChI=1S/C7H10N4OS/c12-7(6-5-9-10-13-6)11-3-1-8-2-4-11/h5,8H,1-4H2
InChIKeyRLJJDCXHLZJGCU-UHFFFAOYSA-N
XLogP-0.42
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze piperazin-1-yl(thiadiazol-5-yl)methanone 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 piperazin-1-yl(thiadiazol-5-yl)methanone?
The IUPAC name of piperazin-1-yl(thiadiazol-5-yl)methanone (CID 43522600) is piperazin-1-yl(thiadiazol-5-yl)methanone.
What is the SMILES notation for piperazin-1-yl(thiadiazol-5-yl)methanone?
The canonical SMILES for piperazin-1-yl(thiadiazol-5-yl)methanone is O=C(c1cnns1)N1CCNCC1.
What is the InChIKey of piperazin-1-yl(thiadiazol-5-yl)methanone?
The InChIKey is RLJJDCXHLZJGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4OS/c12-7(6-5-9-10-13-6)11-3-1-8-2-4-11/h5,8H,1-4H2.
What are the key properties of piperazin-1-yl(thiadiazol-5-yl)methanone?
piperazin-1-yl(thiadiazol-5-yl)methanone has a molecular weight of 198.25 g/mol, XLogP of -0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl(thiadiazol-5-yl)methanone is sourced from PubChem (CID 43522600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).