1-piperazin-1-yl-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-1-one

C13H22N4OS — CID 120982990

IUPAC1-piperazin-1-yl-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-1-one
SMILESCC(C)(NCCC(=O)N1CCNCC1)c1nccs1
InChIInChI=1S/C13H22N4OS/c1-13(2,12-15-7-10-19-12)16-4-3-11(18)17-8-5-14-6-9-17/h7,10,14,16H,3-6,8-9H2,1-2H3
InChIKeyTWXZFJGCWDEYQB-UHFFFAOYSA-N
MW282.41 g/mol
LogP0.79
Rot. Bonds5

About 1-piperazin-1-yl-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-1-one

1-piperazin-1-yl-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-1-one (PubChem CID 120982990) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-piperazin-1-yl-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-1-one.

Molecular Properties

Compound Name1-piperazin-1-yl-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-1-one
PubChem CID120982990
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name1-piperazin-1-yl-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-1-one
SMILESCC(C)(NCCC(=O)N1CCNCC1)c1nccs1
InChIInChI=1S/C13H22N4OS/c1-13(2,12-15-7-10-19-12)16-4-3-11(18)17-8-5-14-6-9-17/h7,10,14,16H,3-6,8-9H2,1-2H3
InChIKeyTWXZFJGCWDEYQB-UHFFFAOYSA-N
XLogP0.79
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]-1-piperazin-1-ylpropan-1-one
CID 120982996
6-[2-(1,3-thiazol-2-yl)propan-2-ylamino]hexan-1-ol
CID 103738697
3-piperidin-4-yl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]butanamide
CID 119858708
1-piperidin-1-yl-2-[[(2R)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethanone
CID 95901357
1-(4-acetylpiperazin-1-yl)-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethanone
CID 95901396
N-(3-methylsulfonylpropyl)-2-(1,3-thiazol-2-yl)propan-2-amine
CID 71986823
piperazin-1-yl(1,3-thiazol-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 66771808
N-[2-(2-methoxyethoxy)ethyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 103738822
4,4-dimethyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentan-1-one
CID 71146511
N-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 127561429
N-(2-propan-2-ylsulfonylethyl)-2-(1,3-thiazol-2-yl)propan-2-amine
CID 103864793
1-pyrrolidin-1-yl-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-one
CID 64988779

Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-1-one?
The IUPAC name of 1-piperazin-1-yl-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-1-one (CID 120982990) is 1-piperazin-1-yl-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-1-one.
What is the SMILES notation for 1-piperazin-1-yl-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-1-one?
The canonical SMILES for 1-piperazin-1-yl-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-1-one is CC(C)(NCCC(=O)N1CCNCC1)c1nccs1.
What is the InChIKey of 1-piperazin-1-yl-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-1-one?
The InChIKey is TWXZFJGCWDEYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-13(2,12-15-7-10-19-12)16-4-3-11(18)17-8-5-14-6-9-17/h7,10,14,16H,3-6,8-9H2,1-2H3.
What are the key properties of 1-piperazin-1-yl-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-1-one?
1-piperazin-1-yl-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-1-one has a molecular weight of 282.41 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-1-one is sourced from PubChem (CID 120982990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).