2-amino-4-methyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentan-1-one

C13H22N4OS — CID 24708603

IUPAC2-amino-4-methyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentan-1-one
SMILESCC(C)CC(N)C(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C13H22N4OS/c1-10(2)9-11(14)12(18)16-4-6-17(7-5-16)13-15-3-8-19-13/h3,8,10-11H,4-7,9,14H2,1-2H3
InChIKeyDKUUFVYSZXLACF-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.17
Rot. Bonds4

About 2-amino-4-methyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentan-1-one

2-amino-4-methyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentan-1-one (PubChem CID 24708603) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-amino-4-methyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name2-amino-4-methyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentan-1-one
PubChem CID24708603
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name2-amino-4-methyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentan-1-one
SMILESCC(C)CC(N)C(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C13H22N4OS/c1-10(2)9-11(14)12(18)16-4-6-17(7-5-16)13-15-3-8-19-13/h3,8,10-11H,4-7,9,14H2,1-2H3
InChIKeyDKUUFVYSZXLACF-UHFFFAOYSA-N
XLogP1.17
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-4-methyl-1-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]pentan-1-one;dihydrochloride
CID 119863994
3-amino-2-methyl-1-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]butan-1-one;dihydrochloride
CID 120503344
2-amino-3-phenyl-1-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propan-1-one;dihydrochloride
CID 119863941
N-[1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]acetamide
CID 24645578
(2S)-2-amino-4-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-1-one
CID 22691110
2-(propan-2-ylamino)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 60841085
2-amino-1-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]ethanone
CID 83634826
2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
CID 18136601
1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one
CID 158048076
2-hydroxy-2-phenyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 111432215
2-[1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]isoindole-1,3-dione
CID 23739700
1-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 48504627

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentan-1-one?
The IUPAC name of 2-amino-4-methyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentan-1-one (CID 24708603) is 2-amino-4-methyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentan-1-one.
What is the SMILES notation for 2-amino-4-methyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentan-1-one?
The canonical SMILES for 2-amino-4-methyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentan-1-one is CC(C)CC(N)C(=O)N1CCN(c2nccs2)CC1.
What is the InChIKey of 2-amino-4-methyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentan-1-one?
The InChIKey is DKUUFVYSZXLACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-10(2)9-11(14)12(18)16-4-6-17(7-5-16)13-15-3-8-19-13/h3,8,10-11H,4-7,9,14H2,1-2H3.
What are the key properties of 2-amino-4-methyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentan-1-one?
2-amino-4-methyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentan-1-one has a molecular weight of 282.41 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentan-1-one is sourced from PubChem (CID 24708603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).