3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]piperidine-2,6-dione

C11H13N3O3S — CID 79364110

IUPAC3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]piperidine-2,6-dione
SMILESCC(=O)c1c(C)nsc1NC1CCC(=O)NC1=O
InChIInChI=1S/C11H13N3O3S/c1-5-9(6(2)15)11(18-14-5)12-7-3-4-8(16)13-10(7)17/h7,12H,3-4H2,1-2H3,(H,13,16,17)
InChIKeyWGNRXRUPAUFATD-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.87
Rot. Bonds3

About 3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]piperidine-2,6-dione

3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]piperidine-2,6-dione (PubChem CID 79364110) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is 3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]piperidine-2,6-dione
PubChem CID79364110
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]piperidine-2,6-dione
SMILESCC(=O)c1c(C)nsc1NC1CCC(=O)NC1=O
InChIInChI=1S/C11H13N3O3S/c1-5-9(6(2)15)11(18-14-5)12-7-3-4-8(16)13-10(7)17/h7,12H,3-4H2,1-2H3,(H,13,16,17)
InChIKeyWGNRXRUPAUFATD-UHFFFAOYSA-N
XLogP0.87
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]piperidine-2,6-dione?
The IUPAC name of 3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]piperidine-2,6-dione (CID 79364110) is 3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]piperidine-2,6-dione.
What is the SMILES notation for 3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]piperidine-2,6-dione?
The canonical SMILES for 3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]piperidine-2,6-dione is CC(=O)c1c(C)nsc1NC1CCC(=O)NC1=O.
What is the InChIKey of 3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]piperidine-2,6-dione?
The InChIKey is WGNRXRUPAUFATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-5-9(6(2)15)11(18-14-5)12-7-3-4-8(16)13-10(7)17/h7,12H,3-4H2,1-2H3,(H,13,16,17).
What are the key properties of 3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]piperidine-2,6-dione?
3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]piperidine-2,6-dione has a molecular weight of 267.31 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]piperidine-2,6-dione is sourced from PubChem (CID 79364110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).