N-[4-(2,2-dimethyl-5-oxopiperazine-1-carbonyl)-1,3-thiazol-2-yl]acetamide

C12H16N4O3S — CID 136540560

IUPACN-[4-(2,2-dimethyl-5-oxopiperazine-1-carbonyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C(=O)N2CC(=O)NCC2(C)C)cs1
InChIInChI=1S/C12H16N4O3S/c1-7(17)14-11-15-8(5-20-11)10(19)16-4-9(18)13-6-12(16,2)3/h5H,4,6H2,1-3H3,(H,13,18)(H,14,15,17)
InChIKeyXGTWQYNBYSVALR-UHFFFAOYSA-N
MW296.35 g/mol
LogP0.45
Rot. Bonds2

About N-[4-(2,2-dimethyl-5-oxopiperazine-1-carbonyl)-1,3-thiazol-2-yl]acetamide

N-[4-(2,2-dimethyl-5-oxopiperazine-1-carbonyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 136540560) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is N-[4-(2,2-dimethyl-5-oxopiperazine-1-carbonyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(2,2-dimethyl-5-oxopiperazine-1-carbonyl)-1,3-thiazol-2-yl]acetamide
PubChem CID136540560
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC NameN-[4-(2,2-dimethyl-5-oxopiperazine-1-carbonyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C(=O)N2CC(=O)NCC2(C)C)cs1
InChIInChI=1S/C12H16N4O3S/c1-7(17)14-11-15-8(5-20-11)10(19)16-4-9(18)13-6-12(16,2)3/h5H,4,6H2,1-3H3,(H,13,18)(H,14,15,17)
InChIKeyXGTWQYNBYSVALR-UHFFFAOYSA-N
XLogP0.45
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-(2,2-dimethyl-5-oxopiperazine-1-carbonyl)-1,3-thiazol-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(3,4-dihydroxypyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide
CID 106671767
N-[4-(4-hydroxy-3,3-dimethylpyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide
CID 136538437
N-[4-(3-hydroxy-3-methylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide
CID 115874539
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-acetamido-1,3-thiazole-4-carboxylate
CID 46605532
N-[4-(4-azatricyclo[4.3.1.13,8]undecane-4-carbonyl)-1,3-thiazol-2-yl]acetamide
CID 71936201
(2S)-1-(2-acetamido-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid
CID 66264126
2-acetamido-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide
CID 47388391
N-[4-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
CID 39043901
methyl 1-(2-acetamido-1,3-thiazole-4-carbonyl)pyrrolidine-3-carboxylate
CID 47340287
N-(4-acetyl-1,3-thiazol-2-yl)-3-ethylpiperidine-3-carboxamide
CID 64556117
methyl 1-(2-acetamido-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylate
CID 43623809
N-(4-acetyl-1,3-thiazol-2-yl)-4-methylpiperidine-4-carboxamide
CID 64557119

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,2-dimethyl-5-oxopiperazine-1-carbonyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-(2,2-dimethyl-5-oxopiperazine-1-carbonyl)-1,3-thiazol-2-yl]acetamide (CID 136540560) is N-[4-(2,2-dimethyl-5-oxopiperazine-1-carbonyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-(2,2-dimethyl-5-oxopiperazine-1-carbonyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-(2,2-dimethyl-5-oxopiperazine-1-carbonyl)-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C(=O)N2CC(=O)NCC2(C)C)cs1.
What is the InChIKey of N-[4-(2,2-dimethyl-5-oxopiperazine-1-carbonyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is XGTWQYNBYSVALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-7(17)14-11-15-8(5-20-11)10(19)16-4-9(18)13-6-12(16,2)3/h5H,4,6H2,1-3H3,(H,13,18)(H,14,15,17).
What are the key properties of N-[4-(2,2-dimethyl-5-oxopiperazine-1-carbonyl)-1,3-thiazol-2-yl]acetamide?
N-[4-(2,2-dimethyl-5-oxopiperazine-1-carbonyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 296.35 g/mol, XLogP of 0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,2-dimethyl-5-oxopiperazine-1-carbonyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 136540560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).