1-(4-acetylpiperazin-1-yl)-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethanone

C15H24N4O2S — CID 95901396

IUPAC1-(4-acetylpiperazin-1-yl)-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethanone
SMILESCC[C@](C)(NCC(=O)N1CCN(C(C)=O)CC1)c1nccs1
InChIInChI=1S/C15H24N4O2S/c1-4-15(3,14-16-5-10-22-14)17-11-13(21)19-8-6-18(7-9-19)12(2)20/h5,10,17H,4,6-9,11H2,1-3H3/t15-/m0/s1
InChIKeyNFBMYJIIKDKQKY-HNNXBMFYSA-N
MW324.45 g/mol
LogP1.05
Rot. Bonds5

About 1-(4-acetylpiperazin-1-yl)-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethanone

1-(4-acetylpiperazin-1-yl)-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethanone (PubChem CID 95901396) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethanone.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethanone
PubChem CID95901396
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethanone
SMILESCC[C@](C)(NCC(=O)N1CCN(C(C)=O)CC1)c1nccs1
InChIInChI=1S/C15H24N4O2S/c1-4-15(3,14-16-5-10-22-14)17-11-13(21)19-8-6-18(7-9-19)12(2)20/h5,10,17H,4,6-9,11H2,1-3H3/t15-/m0/s1
InChIKeyNFBMYJIIKDKQKY-HNNXBMFYSA-N
XLogP1.05
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-acetylpiperazin-1-yl)-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethanone with MolForge

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Related Compounds

1-piperidin-1-yl-2-[[(2R)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethanone
CID 95901357
N-propan-2-yl-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide
CID 96519869
(2S)-N-(2-piperidin-1-ylethyl)-2-(1,3-thiazol-2-yl)butan-2-amine
CID 95901402
1-(4-acetylpiperazin-1-yl)-2-(tert-butylamino)ethanone
CID 78972991
N-[(1R,2R)-2-methylcyclohexyl]-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide
CID 124741779
N-[(3-methylthiophen-2-yl)methyl]-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide
CID 71868953
2-chloro-N-[2-(1,3-thiazol-2-yl)butan-2-yl]acetamide
CID 146085866
2-hydroxy-2-phenyl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]acetamide
CID 111539967
1-piperazin-1-yl-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-1-one
CID 120982990
5-[2-(1,3-thiazol-2-yl)butan-2-ylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685730
1-(4-fluorophenyl)-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]ethanol
CID 111496642
2-methyl-2-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]butanoic acid
CID 114131819

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethanone?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethanone (CID 95901396) is 1-(4-acetylpiperazin-1-yl)-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethanone.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethanone?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethanone is CC[C@](C)(NCC(=O)N1CCN(C(C)=O)CC1)c1nccs1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethanone?
The InChIKey is NFBMYJIIKDKQKY-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-4-15(3,14-16-5-10-22-14)17-11-13(21)19-8-6-18(7-9-19)12(2)20/h5,10,17H,4,6-9,11H2,1-3H3/t15-/m0/s1.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethanone?
1-(4-acetylpiperazin-1-yl)-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethanone has a molecular weight of 324.45 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethanone is sourced from PubChem (CID 95901396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).