1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-2-hydroxypropan-1-one

C11H18N4O2S — CID 120901218

IUPAC1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-2-hydroxypropan-1-one
SMILESCC(O)C(=O)N1CCN(Cc2cnc(N)s2)CC1
InChIInChI=1S/C11H18N4O2S/c1-8(16)10(17)15-4-2-14(3-5-15)7-9-6-13-11(12)18-9/h6,8,16H,2-5,7H2,1H3,(H2,12,13)
InChIKeyOZJWADSKUBEJQQ-UHFFFAOYSA-N
MW270.36 g/mol
LogP-0.25
Rot. Bonds3

About 1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-2-hydroxypropan-1-one

1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-2-hydroxypropan-1-one (PubChem CID 120901218) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-2-hydroxypropan-1-one.

Molecular Properties

Compound Name1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-2-hydroxypropan-1-one
PubChem CID120901218
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-2-hydroxypropan-1-one
SMILESCC(O)C(=O)N1CCN(Cc2cnc(N)s2)CC1
InChIInChI=1S/C11H18N4O2S/c1-8(16)10(17)15-4-2-14(3-5-15)7-9-6-13-11(12)18-9/h6,8,16H,2-5,7H2,1H3,(H2,12,13)
InChIKeyOZJWADSKUBEJQQ-UHFFFAOYSA-N
XLogP-0.25
TPSA82.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-2-hydroxypropan-1-one with MolForge

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Related Compounds

1-[(2S)-4-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpiperazin-1-yl]ethanone
CID 57630166
1-[4-[(2-Amino-1,3-thiazol-5-yl)methyl]-2-methylpiperazin-1-yl]ethanone
CID 76630367
4-[5-[(2-Methoxyethylamino)methyl]-1,3-thiazol-2-yl]piperazin-2-one
CID 62751249
4-[5-[(2-Methoxyethylamino)methyl]-1,3-thiazol-2-yl]-1-methylpiperazin-2-one
CID 64693961
1-[(2-Amino-1,3-thiazol-5-yl)methyl-methylamino]propan-2-ol
CID 79771192
2-[(2-amino-1,3-thiazol-5-yl)methyl-methylamino]-N,N-diethylacetamide
CID 79771668
1-[4-[(2-Amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 79771969
1-[4-[(2-Amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]ethanone
CID 79772198
2-[4-[[2-(Ethylamino)-1,3-thiazol-5-yl]methyl]piperazin-1-yl]ethanol
CID 79772295
2-[4-[[2-(Propylamino)-1,3-thiazol-5-yl]methyl]piperazin-1-yl]ethanol
CID 79772388
2-[(2-amino-1,3-thiazol-5-yl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 79772410
1-[(2-Amino-1,3-thiazol-5-yl)methyl]-4-methylpiperazine-2,3-dione
CID 79774466

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-2-hydroxypropan-1-one?
The IUPAC name of 1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-2-hydroxypropan-1-one (CID 120901218) is 1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-2-hydroxypropan-1-one.
What is the SMILES notation for 1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-2-hydroxypropan-1-one?
The canonical SMILES for 1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-2-hydroxypropan-1-one is CC(O)C(=O)N1CCN(Cc2cnc(N)s2)CC1.
What is the InChIKey of 1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-2-hydroxypropan-1-one?
The InChIKey is OZJWADSKUBEJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-8(16)10(17)15-4-2-14(3-5-15)7-9-6-13-11(12)18-9/h6,8,16H,2-5,7H2,1H3,(H2,12,13).
What are the key properties of 1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-2-hydroxypropan-1-one?
1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-2-hydroxypropan-1-one has a molecular weight of 270.36 g/mol, XLogP of -0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-2-hydroxypropan-1-one is sourced from PubChem (CID 120901218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).