2-(4-acetylpiperazin-1-yl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-oxoacetamide

C11H16N4O3S — CID 108508435

IUPAC2-(4-acetylpiperazin-1-yl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-oxoacetamide
SMILESCC(=O)N1CCN(C(=O)C(=O)NC2=NCCS2)CC1
InChIInChI=1S/C11H16N4O3S/c1-8(16)14-3-5-15(6-4-14)10(18)9(17)13-11-12-2-7-19-11/h2-7H2,1H3,(H,12,13,17)
InChIKeyFBSVCNDXOCSHEG-UHFFFAOYSA-N
MW284.34 g/mol
LogP-1.10
Rot. Bonds

About 2-(4-acetylpiperazin-1-yl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-oxoacetamide

2-(4-acetylpiperazin-1-yl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-oxoacetamide (PubChem CID 108508435) has the molecular formula C11H16N4O3S and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-oxoacetamide
PubChem CID108508435
Molecular FormulaC11H16N4O3S
Molecular Weight284.34 g/mol
Exact Mass284.09
IUPAC Name2-(4-acetylpiperazin-1-yl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-oxoacetamide
SMILESCC(=O)N1CCN(C(=O)C(=O)NC2=NCCS2)CC1
InChIInChI=1S/C11H16N4O3S/c1-8(16)14-3-5-15(6-4-14)10(18)9(17)13-11-12-2-7-19-11/h2-7H2,1H3,(H,12,13,17)
InChIKeyFBSVCNDXOCSHEG-UHFFFAOYSA-N
XLogP-1.10
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 5-1.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 108520614
1-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoacetyl]piperidine-4-carboxamide
CID 108530780
N-(4-acetylphenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide
CID 108514840
N-(4,5-dihydro-1,3-thiazol-2-yl)-N'-(4,5-dimethyl-1,3-thiazol-2-yl)oxamide
CID 108529955
3-(4,5-dihydro-1,3-thiazol-2-ylamino)-4-methylpentan-2-one
CID 77342521
N-(4,5-dihydro-1,3-thiazol-2-yl)-N',N'-bis(2-hydroxyethyl)oxamide
CID 108509939
1-(cyclopropanecarbonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 47099504
N-(4,5-dihydro-1,3-thiazol-2-yl)-N'-(1,3-thiazol-2-yl)oxamide
CID 108520051
2-acetamido-2-cyclopentyl-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide
CID 75413441
N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(2,3,4-trifluorophenyl)oxamide
CID 108530808
2-(4-acetylpiperazin-1-yl)-N-[4-(diethylamino)phenyl]-2-oxoacetamide
CID 108508432
N-(2-bromophenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide
CID 108530774

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-oxoacetamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-oxoacetamide (CID 108508435) is 2-(4-acetylpiperazin-1-yl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-oxoacetamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-oxoacetamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-oxoacetamide is CC(=O)N1CCN(C(=O)C(=O)NC2=NCCS2)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-oxoacetamide?
The InChIKey is FBSVCNDXOCSHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3S/c1-8(16)14-3-5-15(6-4-14)10(18)9(17)13-11-12-2-7-19-11/h2-7H2,1H3,(H,12,13,17).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-oxoacetamide?
2-(4-acetylpiperazin-1-yl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-oxoacetamide has a molecular weight of 284.34 g/mol, XLogP of -1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-oxoacetamide is sourced from PubChem (CID 108508435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).