1-[1-(1,3-thiazol-2-yl)propyl]piperidine-2,4-dione

C11H14N2O2S — CID 79515797

IUPAC1-[1-(1,3-thiazol-2-yl)propyl]piperidine-2,4-dione
SMILESCCC(c1nccs1)N1CCC(=O)CC1=O
InChIInChI=1S/C11H14N2O2S/c1-2-9(11-12-4-6-16-11)13-5-3-8(14)7-10(13)15/h4,6,9H,2-3,5,7H2,1H3
InChIKeyQWTPHSZCVCYOJN-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.79
Rot. Bonds3

About 1-[1-(1,3-thiazol-2-yl)propyl]piperidine-2,4-dione

1-[1-(1,3-thiazol-2-yl)propyl]piperidine-2,4-dione (PubChem CID 79515797) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is 1-[1-(1,3-thiazol-2-yl)propyl]piperidine-2,4-dione.

Molecular Properties

Compound Name1-[1-(1,3-thiazol-2-yl)propyl]piperidine-2,4-dione
PubChem CID79515797
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name1-[1-(1,3-thiazol-2-yl)propyl]piperidine-2,4-dione
SMILESCCC(c1nccs1)N1CCC(=O)CC1=O
InChIInChI=1S/C11H14N2O2S/c1-2-9(11-12-4-6-16-11)13-5-3-8(14)7-10(13)15/h4,6,9H,2-3,5,7H2,1H3
InChIKeyQWTPHSZCVCYOJN-UHFFFAOYSA-N
XLogP1.79
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3-thiazol-2-yl)propyl]piperidine-2,4-dione?
The IUPAC name of 1-[1-(1,3-thiazol-2-yl)propyl]piperidine-2,4-dione (CID 79515797) is 1-[1-(1,3-thiazol-2-yl)propyl]piperidine-2,4-dione.
What is the SMILES notation for 1-[1-(1,3-thiazol-2-yl)propyl]piperidine-2,4-dione?
The canonical SMILES for 1-[1-(1,3-thiazol-2-yl)propyl]piperidine-2,4-dione is CCC(c1nccs1)N1CCC(=O)CC1=O.
What is the InChIKey of 1-[1-(1,3-thiazol-2-yl)propyl]piperidine-2,4-dione?
The InChIKey is QWTPHSZCVCYOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-2-9(11-12-4-6-16-11)13-5-3-8(14)7-10(13)15/h4,6,9H,2-3,5,7H2,1H3.
What are the key properties of 1-[1-(1,3-thiazol-2-yl)propyl]piperidine-2,4-dione?
1-[1-(1,3-thiazol-2-yl)propyl]piperidine-2,4-dione has a molecular weight of 238.31 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,3-thiazol-2-yl)propyl]piperidine-2,4-dione is sourced from PubChem (CID 79515797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).