2-[3-(3-oxopiperazin-1-yl)propylimino]-1,3-thiazolidin-4-one

C10H16N4O2S — CID 141220417

IUPAC2-[3-(3-oxopiperazin-1-yl)propylimino]-1,3-thiazolidin-4-one
SMILESO=C1CN(CCC/N=C2/NC(=O)CS2)CCN1
InChIInChI=1S/C10H16N4O2S/c15-8-6-14(5-3-11-8)4-1-2-12-10-13-9(16)7-17-10/h1-7H2,(H,11,15)(H,12,13,16)
InChIKeyOZEVAWPZNCMHJW-UHFFFAOYSA-N
MW256.33 g/mol
LogP-0.97
Rot. Bonds4

About 2-[3-(3-oxopiperazin-1-yl)propylimino]-1,3-thiazolidin-4-one

2-[3-(3-oxopiperazin-1-yl)propylimino]-1,3-thiazolidin-4-one (PubChem CID 141220417) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-[3-(3-oxopiperazin-1-yl)propylimino]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[3-(3-oxopiperazin-1-yl)propylimino]-1,3-thiazolidin-4-one
PubChem CID141220417
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC Name2-[3-(3-oxopiperazin-1-yl)propylimino]-1,3-thiazolidin-4-one
SMILESO=C1CN(CCC/N=C2/NC(=O)CS2)CCN1
InChIInChI=1S/C10H16N4O2S/c15-8-6-14(5-3-11-8)4-1-2-12-10-13-9(16)7-17-10/h1-7H2,(H,11,15)(H,12,13,16)
InChIKeyOZEVAWPZNCMHJW-UHFFFAOYSA-N
XLogP-0.97
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-oxopiperazin-1-yl)propylimino]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[3-(3-oxopiperazin-1-yl)propylimino]-1,3-thiazolidin-4-one (CID 141220417) is 2-[3-(3-oxopiperazin-1-yl)propylimino]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[3-(3-oxopiperazin-1-yl)propylimino]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[3-(3-oxopiperazin-1-yl)propylimino]-1,3-thiazolidin-4-one is O=C1CN(CCC/N=C2/NC(=O)CS2)CCN1.
What is the InChIKey of 2-[3-(3-oxopiperazin-1-yl)propylimino]-1,3-thiazolidin-4-one?
The InChIKey is OZEVAWPZNCMHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c15-8-6-14(5-3-11-8)4-1-2-12-10-13-9(16)7-17-10/h1-7H2,(H,11,15)(H,12,13,16).
What are the key properties of 2-[3-(3-oxopiperazin-1-yl)propylimino]-1,3-thiazolidin-4-one?
2-[3-(3-oxopiperazin-1-yl)propylimino]-1,3-thiazolidin-4-one has a molecular weight of 256.33 g/mol, XLogP of -0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-oxopiperazin-1-yl)propylimino]-1,3-thiazolidin-4-one is sourced from PubChem (CID 141220417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).