1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]piperidine-2,4-dione

C12H16N2O2S — CID 79516964

IUPAC1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]piperidine-2,4-dione
SMILESCc1nc(C)c(C(C)N2CCC(=O)CC2=O)s1
InChIInChI=1S/C12H16N2O2S/c1-7-12(17-9(3)13-7)8(2)14-5-4-10(15)6-11(14)16/h8H,4-6H2,1-3H3
InChIKeyUTRAFNNAMGLGQI-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.01
Rot. Bonds2

About 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]piperidine-2,4-dione

1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]piperidine-2,4-dione (PubChem CID 79516964) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]piperidine-2,4-dione.

Molecular Properties

Compound Name1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]piperidine-2,4-dione
PubChem CID79516964
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]piperidine-2,4-dione
SMILESCc1nc(C)c(C(C)N2CCC(=O)CC2=O)s1
InChIInChI=1S/C12H16N2O2S/c1-7-12(17-9(3)13-7)8(2)14-5-4-10(15)6-11(14)16/h8H,4-6H2,1-3H3
InChIKeyUTRAFNNAMGLGQI-UHFFFAOYSA-N
XLogP2.01
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]piperidine-2,4-dione 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-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]piperidine-2,4-dione?
The IUPAC name of 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]piperidine-2,4-dione (CID 79516964) is 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]piperidine-2,4-dione.
What is the SMILES notation for 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]piperidine-2,4-dione?
The canonical SMILES for 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]piperidine-2,4-dione is Cc1nc(C)c(C(C)N2CCC(=O)CC2=O)s1.
What is the InChIKey of 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]piperidine-2,4-dione?
The InChIKey is UTRAFNNAMGLGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-7-12(17-9(3)13-7)8(2)14-5-4-10(15)6-11(14)16/h8H,4-6H2,1-3H3.
What are the key properties of 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]piperidine-2,4-dione?
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]piperidine-2,4-dione has a molecular weight of 252.34 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]piperidine-2,4-dione is sourced from PubChem (CID 79516964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).