N-[1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]acetamide

C12H18N4O2S — CID 24645578

IUPACN-[1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)C(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C12H18N4O2S/c1-9(14-10(2)17)11(18)15-4-6-16(7-5-15)12-13-3-8-19-12/h3,8-9H,4-7H2,1-2H3,(H,14,17)
InChIKeyGDWPSTHVJGSEJW-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.32
Rot. Bonds3

About N-[1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]acetamide

N-[1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]acetamide (PubChem CID 24645578) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-[1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]acetamide
PubChem CID24645578
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC NameN-[1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)C(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C12H18N4O2S/c1-9(14-10(2)17)11(18)15-4-6-16(7-5-15)12-13-3-8-19-12/h3,8-9H,4-7H2,1-2H3,(H,14,17)
InChIKeyGDWPSTHVJGSEJW-UHFFFAOYSA-N
XLogP0.32
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-methyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentan-1-one
CID 24708603
N-[3-methyl-1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-2-yl]benzamide
CID 42932037
2-(propan-2-ylamino)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 60841085
4-methyl-N-[3-methyl-1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-2-yl]benzamide
CID 51289843
3-amino-2-methyl-1-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]butan-1-one;dihydrochloride
CID 120503344
4-fluoro-N-[3-methyl-1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-2-yl]benzamide
CID 51289845
3,5-dimethyl-N-[(2S)-1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]-1,2-oxazole-4-sulfonamide
CID 30085204
2-hydroxy-2-phenyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 111432215
(2S)-2-amino-4-methyl-1-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]pentan-1-one;dihydrochloride
CID 119863994
2-[1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]isoindole-1,3-dione
CID 23739700
2-(3-propan-2-ylphenoxy)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
CID 55821876
cyclopropyl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 53498835

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]acetamide?
The IUPAC name of N-[1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]acetamide (CID 24645578) is N-[1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]acetamide.
What is the SMILES notation for N-[1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]acetamide?
The canonical SMILES for N-[1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]acetamide is CC(=O)NC(C)C(=O)N1CCN(c2nccs2)CC1.
What is the InChIKey of N-[1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]acetamide?
The InChIKey is GDWPSTHVJGSEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-9(14-10(2)17)11(18)15-4-6-16(7-5-15)12-13-3-8-19-12/h3,8-9H,4-7H2,1-2H3,(H,14,17).
What are the key properties of N-[1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]acetamide?
N-[1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]acetamide has a molecular weight of 282.37 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]acetamide is sourced from PubChem (CID 24645578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).